2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-8-ethyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-8-ethyl-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-methylanilino)-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methylanilino]-8-ethyl-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-8-ethyl-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C32H37N3O4 MolecularWeight: 527.65388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)N(C3=CC=CC(=C3)C)C(=O)NC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(CC(C(=O)N2CC(=O)O)N(C3=CC=CC(=C3)C)C(=O)NC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C32H37N3O4/c1-6-22-15-16-25-26(23-12-8-7-9-13-23)19-28(30(38)34(20-29(36)37)27(25)18-22)35(31(39)33-32(3,4)5)24-14-10-11-21(2)17-24/h7-18,26,28H,6,19-20H2,1-5H3,(H,33,39)(H,36,37)