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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-4-phenyl-3-[[4-(4-phenylmethoxyphenyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 3-[[4-(4-benzyloxyphenyl)benzoyl]amino]-2-[(3-cyanophenyl)methyl]-4-phenyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo-[4-(4-phenylmethoxyphenyl)phenyl]methyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-4-phenyl-3-[[4-(4-phenylmethoxyphenyl)benzoyl]amino]butanoate Traditional Name: 3-[[4-(4-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=C(C=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=C(C=C4)OCC5=CC=CC=C5

InChI

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