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

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-tert-butylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[3-tert-butyl-N-(tert-butylcarbamoyl)anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(3-tert-butyl-N-[(tert-butylamino)-oxomethyl]anilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[3-tert-butyl-N-(tert-butylcarbamoyl)anilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[3-[3-tert-butyl-N-(tert-butylcarbamoyl)anilino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C35H43N3O4 MolecularWeight: 569.73362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)N(C2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)N(C2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC(C)(C)C

InChI

InChI=1S/C35H43N3O4/c1-34(2,3)27-18-13-19-28(22-27)38(33(42)36-35(4,5)6)30-21-26(24-14-9-7-10-15-24)20-29(25-16-11-8-12-17-25)37(32(30)41)23-31(39)40/h7-19,22,26,29-30H,20-21,23H2,1-6H3,(H,36,42)(H,39,40)