4-(4-methoxyphenyl)-2-oxidanylidene-1-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid

Systemtic Name: 4-(4-methoxyphenyl)-2-oxidanylidene-1-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Openeye Name: 4-(4-methoxyphenyl)-2-oxo-1-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid CAS Name: 4-(4-methoxyphenyl)-2-oxo-1-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid IUPAC Name: 4-(4-methoxyphenyl)-2-oxo-1-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Traditional Name: 2-keto-4-(4-methoxyphenyl)-1-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid Formula: C19H16F3NO4 MolecularWeight: 379.32985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=CC=CC=C3N(C(=O)C2C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=CC=CC=C3N(C(=O)C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H16F3NO4/c1-27-13-8-6-11(7-9-13)14-10-12-4-2-3-5-15(12)23(19(20,21)22)17(24)16(14)18(25)26/h2-9,14,16H,10H2,1H3,(H,25,26)