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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-4-phenyl-3-[[4-(3-phenylmethoxyphenyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 3-[[4-(3-benzyloxyphenyl)benzoyl]amino]-2-[(3-cyanophenyl)methyl]-4-phenyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[4-(3-phenylmethoxyphenyl)phenyl]methyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-4-phenyl-3-[[4-(3-phenylmethoxyphenyl)benzoyl]amino]butanoate Traditional Name: 3-[[4-(3-benzoxyphenyl)benzoyl]amino]-2-(3-cyanobenzyl)-4-phenyl-butyric acid methyl ester Formula: C39H34N2O4 MolecularWeight: 594.69826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC(=C1)C#N)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C(CC1=CC=CC(=C1)C#N)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C39H34N2O4/c1-44-39(43)36(23-30-14-8-15-31(22-30)26-40)37(24-28-10-4-2-5-11-28)41-38(42)33-20-18-32(19-21-33)34-16-9-17-35(25-34)45-27-29-12-6-3-7-13-29/h2-22,25,36-37H,23-24,27H2,1H3,(H,41,42)