2-[8-methyl-3-[(1-methylcyclohexyl)amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[8-methyl-3-[(1-methylcyclohexyl)amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[8-methyl-3-[(1-methylcyclohexyl)amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[8-methyl-3-[(1-methylcyclohexyl)amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[8-methyl-3-[(1-methylcyclohexyl)amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-8-methyl-3-[(1-methylcyclohexyl)amino]-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)NC3(CCCCC3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)NC3(CCCCC3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3/c1-18-11-12-20-21(19-9-5-3-6-10-19)16-22(27-26(2)13-7-4-8-14-26)25(31)28(17-24(29)30)23(20)15-18/h3,5-6,9-12,15,21-22,27H,4,7-8,13-14,16-17H2,1-2H3,(H,29,30)