Cinnamic acids and derivatives
Cinromide, TRC
CAS: 58473-74-8 Molecular Formula: C11H12BrNO Molecular Weight (g/mol): 254.12 Synonym: (2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide,(E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide,BW 122U,Vumide IUPAC Name: (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide SMILES: CCNC(=O)\C=C\c1cccc(Br)c1
Cinanserin, TRC
CAS: 1166-34-3 Molecular Formula: C20H24N2OS Molecular Weight (g/mol): 340.48 Synonym: N-[2-[[3-(Dimethylamino)propyl]thio]phenyl]-3-phenyl-2-propenamide,2'-[[3-(Dimethylamino)propyl]thio]cinnamanilide,Cinanserin,Cinanserine,2'-[[3-(Dimethylamino)propyl]thio]-cinnamanilide IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide SMILES: CN(C)CCCSc1ccccc1NC(=O)\C=C\c2ccccc2
Nitecapone, TRC
CAS: 116313-94-1 Molecular Formula: C12 H11 N O6 Molecular Weight (g/mol): 265.22 IUPAC Name: 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione SMILES: CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)[O-])C(=O)C
Tranilast, TRC
CAS: 53902-12-8 Molecular Formula: C18 H17 N O5 Molecular Weight (g/mol): 327.33 Synonym: Tranilast - Bio-X TM IUPAC Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid SMILES: COc1ccc(\C=C\C(=O)Nc2ccccc2C(=O)O)cc1OC
Entacapone, TRC
CAS: 130929-57-6 Molecular Formula: C14 H15 N3 O5 Molecular Weight (g/mol): 305.29 Synonym: 2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (2E)-,2-Propenamide, 2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-, (E)-,(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide,(E)-Entacapone,Comtan,Entacapone,Entacom,OR 611,Parkicapone,(E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide,(2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide IUPAC Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide SMILES: CCN(CC)C(=O)\C(=C\c1cc(O)c(O)c(c1)[N+](=O)[O-])\C#N
Desoxyquinocetone, TRC
CAS: 80109-63-3 Molecular Formula: C18H14N2O Molecular Weight (g/mol): 274.32 Synonym: 1-(3-Methyl-2-quinoxalinyl)-3-phenyl-2-propen-1-one; SMILES: CC1=NC2=CC=CC=C2N=C1C(=O)/C=C/C3=CC=CC=C3
Octinoxate, TRC
CAS: 5466-77-3 Molecular Formula: C18 H26 O3 Molecular Weight (g/mol): 290.4 Synonym: 2-Ethylhexyl 4-methoxycinnamate,2-Ethylhexyl methoxycinnamate,2-Ethylhexyl p-methoxycinnamate,3-(4-Methoxyphenyl)-2-propenoic acid 2-ethylhexyl ester,4-Methoxycinnamic acid 2-ethylhexyl ester,Escalol 557,Escalol 557NB,Escalol 557T,Ethylhexyl methoxycinnamate,Ethylhexyl p-methoxycinnamate,Eusolex 2292,Eusolex UV-Pearls OMC,Jeescreen OMC,NSC 26466,Neo Heliopan AV,Nomcort TAB,Nomcort TAB-R,Octinoxate,Octyl 4-methoxycinnamate,Octyl methoxycinnamate,Octyl p-methoxycinnamate,Parsol MCX,Parsol MCX-SA,Parsol MOX,Solarom OMC,Sun Caps 664,Sunscreen AV,Tinosorb OMC,Uvinul 3088,Uvinul MC 80,Uvinul MC 80N,Uvinul MC 90,p-Methoxycinnamic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate SMILES: CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1
Lacidipine, TRC
CAS: 103890-78-4 Molecular Formula: C26 H33 N O6 Molecular Weight (g/mol): 455.54 Synonym: Lacidipine,4-[2-[(1E)-3-(1,1-Dimethylethoxy)-3-oxo-1-propenyl]phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid diethyl ester,(E)-4-[2-[3-(1,1-Dimethylethoxy)-3-oxo-1-propenyl]phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid diethyl ester,Caldine,GR 43659X,GX 1048,Lacimen,Lacipil,Lacirex,Midotens,Motens IUPAC Name: diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2\C=C\C(=O)OC(C)(C)C)C(=O)OCC)C
Cinnamic Acid, TRC
CAS: 621-82-9 Molecular Formula: C9 H8 O2 Molecular Weight (g/mol): 148.159 Synonym: 3-Phenyl-2-propenoic Acid,3-Phenylacrylic Acid,NSC 623441,NSC 9189,Phenylacrylic Acid,β-Phenylacrylic Acid IUPAC Name: 3-phenylprop-2-enoic acid SMILES: OC(=O)C=Cc1ccccc1
Caffeic Acid, TRC
CAS: 331-39-5 Molecular Formula: C9 H8 O4 Molecular Weight (g/mol): 180.16 Synonym: Cinnamic acid, 3,4-dihydroxy- (8CI),3-(3,4-Dihydroxyphenyl)-2-propenoic acid,3,4-Dihydroxybenzeneacrylic acid,3,4-Dihydroxycinnamic acid,3-(3,4-Dihydroxyphenyl)propenoic acid,4-(2-Carboxyethenyl)-1,2-dihydroxybenzene,4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene,Caffeic acid,DHCA,NSC 57197,NSC 623438 IUPAC Name: 3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: OC(=O)C=Cc1ccc(O)c(O)c1
cis Lacidipine, TRC
CAS: 103890-79-5 Molecular Formula: C26 H33 N O6 Molecular Weight (g/mol): 455.54 Synonym: 3,5-Pyridinedicarboxylic acid, 4-[2-[(1Z)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester,3,5-Pyridinedicarboxylic acid, 4-[2-[(1Z)-3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester (9CI),3,5-Pyridinedicarboxylic acid, 4-[2-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]phenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester, (Z)-,3,5-Diethyl 4-[2-[(1Z)-3-(1,1-dimethylethoxy)-3-oxo-1-propen-1-yl]phenyl]-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate,Diethyl (Z)-4-{2-[2-(tert-Butoxycarbonyl)vinyl]phenyl}-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate,cis-Lacidipine,GR 51096X,GR 51092X,GR 49111X IUPAC Name: diethyl 2,6-dimethyl-4-[2-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2\C=C/C(=O)OC(C)(C)C)C(=O)OCC)C
Docosyl Ferulate, TRC
CAS: 101927-24-6 Molecular Formula: C32 H54 O4 Molecular Weight (g/mol): 502.77 Synonym: (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic Acid Docosyl Ester,Docosyl trans-ferulate,E-Ferulic Acid Docosyl Ester IUPAC Name: docosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate SMILES: CCCCCCCCCCCCCCCCCCCCCCOC(=O)\C=C\c1ccc(O)c(OC)c1
Avenanthramide C, TRC
CAS: 116764-15-9 Molecular Formula: C16H13NO6 Molecular Weight (g/mol): 315.28 Synonym: 2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]amino]-5-hydroxybenzoic Acid,Avenanthramide 2c,Avenanthramide Bc IUPAC Name: 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-5-hydroxybenzoic acid SMILES: OC1=C(O)C=CC(/C=C/C(NC2=C(C(O)=O)C=C(O)C=C2)=O)=C1
Caftaric Acid, TRC
CAS: 67879-58-7 Molecular Formula: C13 H12 O9 Molecular Weight (g/mol): 312.23 Synonym: Butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-, (2R,3R)- (9CI),Butanedioic acid, 2-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-, [R-[R*,R*-(E)]]-,(2R,3R)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxybutanedioic acid,trans-Caftaric acid IUPAC Name: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid SMILES: O[C@H]([C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(=O)O)C(=O)O
trans-Cinnamamide, TRC
CAS: 22031-64-7 Molecular Formula: C9 H9 N O Molecular Weight (g/mol): 147.17 Synonym: 2-Propenamide, 3-phenyl-, (2E)-,2-Propenamide, 3-phenyl-, (E)-,Cinnamamide, (E)- (8CI),(2E)-3-Phenyl-2-propenamide,(E)-3-Phenyl-2-propenamide,(E)-Cinnamamide,U 2422,trans-3-Phenyl-2-propenamide,trans-Cinnamamide,trans-Cinnamic acid amide,trans-Cinnamoylamine,trans-β-(Aminocarbonyl)styrene,Mitomycin Imp. A (EP) IUPAC Name: (E)-3-phenylprop-2-enamide SMILES: NC(=O)\C=C\c1ccccc1