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

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-propan-2-ylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-isopropyl-anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-propan-2-ylanilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-propan-2-ylanilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-isopropyl-anilino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C34H41N3O4 MolecularWeight: 555.70704

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Descriptors Computed from Structure

Canonical SMILES:

CC(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)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/C34H41N3O4/c1-23(2)26-17-12-18-28(19-26)37(33(41)35-34(3,4)5)30-21-27(24-13-8-6-9-14-24)20-29(25-15-10-7-11-16-25)36(32(30)40)22-31(38)39/h6-19,23,27,29-30H,20-22H2,1-5H3,(H,35,41)(H,38,39)