methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(4-methylphenyl)phenyl]carbonylamino]-4-phenyl-butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(4-methylphenyl)phenyl]carbonylamino]-4-phenyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-4-phenyl-3-[[4-(p-tolyl)benzoyl]amino]butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(4-methylphenyl)phenyl]-oxomethyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(4-methylphenyl)benzoyl]amino]-4-phenylbutanoate Traditional Name: 2-(3-cyanobenzyl)-4-phenyl-3-[[4-(p-tolyl)benzoyl]amino]butyric acid methyl ester Formula: C33H30N2O3 MolecularWeight: 502.6029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CC4=CC=CC(=C4)C#N)C(=O)OC

InChI

InChI=1S/C33H30N2O3/c1-23-11-13-27(14-12-23)28-15-17-29(18-16-28)32(36)35-31(21-24-7-4-3-5-8-24)30(33(37)38-2)20-25-9-6-10-26(19-25)22-34/h3-19,30-31H,20-21H2,1-2H3,(H,35,36)