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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-nitrophenyl)phenyl]carbonylamino]-4-phenyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-nitrophenyl)benzoyl]amino]-4-phenyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(3-nitrophenyl)phenyl]-oxomethyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-nitrophenyl)benzoyl]amino]-4-phenylbutanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(3-nitrophenyl)benzoyl]amino]-4-phenyl-butyric acid methyl ester Formula: C32H27N3O5 MolecularWeight: 533.57388

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C32H27N3O5/c1-40-32(37)29(18-23-9-5-10-24(17-23)21-33)30(19-22-7-3-2-4-8-22)34-31(36)26-15-13-25(14-16-26)27-11-6-12-28(20-27)35(38)39/h2-17,20,29-30H,18-19H2,1H3,(H,34,36)