methyl 4-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-3-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Openeye Name: methyl 3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate CAS Name: 3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-4-(4-methoxyphenyl)-2-oxo-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylate Traditional Name: 3-hydroxy-2-keto-4-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydro-1H-1-benzazepine-3-carboxylic acid methyl ester Formula: C20H18F3NO5 MolecularWeight: 409.35583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC=C3NC(=O)C2(C(=O)OC)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C=CC=C3NC(=O)C2(C(=O)OC)O)C(F)(F)F

InChI

InChI=1S/C20H18F3NO5/c1-28-12-8-6-11(7-9-12)15-10-13-14(20(21,22)23)4-3-5-16(13)24-17(25)19(15,27)18(26)29-2/h3-9,15,27H,10H2,1-2H3,(H,24,25)