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

Systemtic Name: 4-[(1-butyl-5,5-dimethyl-2-oxidanylidene-3,4-dihydro-1-benzazepin-7-yl)carbamoyl]benzoic acid Openeye Name: 4-[(1-butyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-7-yl)carbamoyl]benzoic acid CAS Name: 4-[[(1-butyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-7-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[(1-butyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-7-yl)carbamoyl]benzoic acid Traditional Name: 4-[(1-butyl-2-keto-5,5-dimethyl-3,4-dihydro-1-benzazepin-7-yl)carbamoyl]benzoic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C

Isomeric SMILES

CCCCN1C(=O)CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C

InChI

InChI=1S/C24H28N2O4/c1-4-5-14-26-20-11-10-18(15-19(20)24(2,3)13-12-21(26)27)25-22(28)16-6-8-17(9-7-16)23(29)30/h6-11,15H,4-5,12-14H2,1-3H3,(H,25,28)(H,29,30)