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

Systemtic Name: 2-[3-[tert-butylcarbamoyl-(3-methylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(N-[(tert-butylamino)-oxomethyl]-3-methylanilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methylanilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[3-[N-(tert-butylcarbamoyl)-3-methyl-anilino]-2-keto-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C32H37N3O4 MolecularWeight: 527.65388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C32H37N3O4/c1-22-12-11-17-26(18-22)35(31(39)33-32(2,3)4)28-20-25(23-13-7-5-8-14-23)19-27(24-15-9-6-10-16-24)34(30(28)38)21-29(36)37/h5-18,25,27-28H,19-21H2,1-4H3,(H,33,39)(H,36,37)