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

Systemtic Name: 2-[3-[(1-methylcyclopentyl)carbamoyl-(3-methylphenyl)amino]-2-oxidanylidene-5,7-diphenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-[3-methyl-N-[(1-methylcyclopentyl)carbamoyl]anilino]-2-oxo-5,7-diphenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-(3-methyl-N-[[(1-methylcyclopentyl)amino]-oxomethyl]anilino)-2-oxo-5,7-diphenyl-1-azepanyl]acetic acid IUPAC Name: 2-[3-[3-methyl-N-[(1-methylcyclopentyl)carbamoyl]anilino]-2-oxo-5,7-diphenylazepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-[3-methyl-N-[(1-methylcyclopentyl)carbamoyl]anilino]-5,7-diphenyl-azepan-1-yl]acetic acid Formula: C34H39N3O4 MolecularWeight: 553.69116

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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)NC5(CCCC5)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)NC5(CCCC5)C

InChI

InChI=1S/C34H39N3O4/c1-24-12-11-17-28(20-24)37(33(41)35-34(2)18-9-10-19-34)30-22-27(25-13-5-3-6-14-25)21-29(26-15-7-4-8-16-26)36(32(30)40)23-31(38)39/h3-8,11-17,20,27,29-30H,9-10,18-19,21-23H2,1-2H3,(H,35,41)(H,38,39)