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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)N(C2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)C)C

Isomeric SMILES

CC1(CCC(=O)N(C2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)C)C

InChI

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