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

Systemtic Name: 4-[(1,3,3-trimethyl-2-oxidanylidene-4,5-dihydro-1-benzazepin-7-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1,3,3-trimethyl-2-oxo-4,5-dihydro-1-benzazepine-7-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-(1,3,3-trimethyl-2-oxo-4,5-dihydro-1-benzazepin-7-yl)methyl]amino]benzoic acid IUPAC Name: 4-[(1,3,3-trimethyl-2-oxo-4,5-dihydro-1-benzazepine-7-carbonyl)amino]benzoic acid Traditional Name: 4-[(2-keto-1,3,3-trimethyl-4,5-dihydro-1-benzazepine-7-carbonyl)amino]benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)N(C1=O)C)C

Isomeric SMILES

CC1(CCC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)N(C1=O)C)C

InChI

InChI=1S/C21H22N2O4/c1-21(2)11-10-14-12-15(6-9-17(14)23(3)20(21)27)18(24)22-16-7-4-13(5-8-16)19(25)26/h4-9,12H,10-11H2,1-3H3,(H,22,24)(H,25,26)