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

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-chlorophenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-chloro-anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-chloroanilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-chloroanilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-chloro-anilino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C31H34ClN3O4 MolecularWeight: 548.07236

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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)Cl

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)Cl

InChI

InChI=1S/C31H34ClN3O4/c1-31(2,3)33-30(39)35(25-16-10-15-24(32)19-25)27-18-23(21-11-6-4-7-12-21)17-26(22-13-8-5-9-14-22)34(29(27)38)20-28(36)37/h4-16,19,23,26-27H,17-18,20H2,1-3H3,(H,33,39)(H,36,37)