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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(4-methyl-2-nitro-phenyl)phenyl]carbonylamino]-4-phenyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(4-methyl-2-nitro-phenyl)benzoyl]amino]-4-phenyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(4-methyl-2-nitrophenyl)phenyl]-oxomethyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(4-methyl-2-nitrophenyl)benzoyl]amino]-4-phenylbutanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(4-methyl-2-nitro-phenyl)benzoyl]amino]-4-phenyl-butyric acid methyl ester Formula: C33H29N3O5 MolecularWeight: 547.60046

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

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

InChI

InChI=1S/C33H29N3O5/c1-22-11-16-28(31(17-22)36(39)40)26-12-14-27(15-13-26)32(37)35-30(20-23-7-4-3-5-8-23)29(33(38)41-2)19-24-9-6-10-25(18-24)21-34/h3-18,29-30H,19-20H2,1-2H3,(H,35,37)