2-[3-[tert-butylcarbamoyl-(3-cyanophenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-cyanophenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-cyano-anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-cyanoanilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-cyanoanilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-cyano-anilino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C32H34N4O4 MolecularWeight: 538.63676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N(C1CC(CC(N(C1=O)CC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C)(C)NC(=O)N(C1CC(CC(N(C1=O)CC(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C32H34N4O4/c1-32(2,3)34-31(40)36(26-16-10-11-22(17-26)20-33)28-19-25(23-12-6-4-7-13-23)18-27(24-14-8-5-9-15-24)35(30(28)39)21-29(37)38/h4-17,25,27-28H,18-19,21H2,1-3H3,(H,34,40)(H,37,38)