2-[5-(2-methylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoic acid

Systemtic Name: 2-[5-(2-methylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxidanylidene-7-phenyl-azepan-1-yl]ethanoic acid Openeye Name: 2-[3-(m-tolylcarbamoylamino)-5-(o-tolyl)-2-oxo-7-phenyl-azepan-1-yl]acetic acid CAS Name: 2-[3-[[(3-methylanilino)-oxomethyl]amino]-5-(2-methylphenyl)-2-oxo-7-phenyl-1-azepanyl]acetic acid IUPAC Name: 2-[5-(2-methylphenyl)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-7-phenylazepan-1-yl]acetic acid Traditional Name: 2-[2-keto-3-(m-tolylcarbamoylamino)-5-(o-tolyl)-7-phenyl-azepan-1-yl]acetic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2CC(CC(N(C2=O)CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C29H31N3O4/c1-19-9-8-13-23(15-19)30-29(36)31-25-16-22(24-14-7-6-10-20(24)2)17-26(21-11-4-3-5-12-21)32(28(25)35)18-27(33)34/h3-15,22,25-26H,16-18H2,1-2H3,(H,33,34)(H2,30,31,36)