4-[(1,3-dimethyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1,3-dimethyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-7-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1,3-dimethyl-2-oxo-4,5-dihydro-3H-1-benzazepine-7-carbonyl)amino]benzoic acid CAS Name: 4-[[(1,3-dimethyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1,3-dimethyl-2-oxo-4,5-dihydro-3H-1-benzazepine-7-carbonyl)amino]benzoic acid Traditional Name: 4-[(2-keto-1,3-dimethyl-4,5-dihydro-3H-1-benzazepine-7-carbonyl)amino]benzoic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)N(C1=O)C

Isomeric SMILES

CC1CCC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)N(C1=O)C

InChI

InChI=1S/C20H20N2O4/c1-12-3-4-14-11-15(7-10-17(14)22(2)19(12)24)18(23)21-16-8-5-13(6-9-16)20(25)26/h5-12H,3-4H2,1-2H3,(H,21,23)(H,25,26)