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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-4-phenyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-phenyl-butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-phenylbutanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-phenyl-butyric acid methyl ester Formula: C34H32N2O3 MolecularWeight: 516.62948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=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

CCC1=CC=CC(=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/C34H32N2O3/c1-3-24-11-8-14-30(20-24)28-15-17-29(18-16-28)33(37)36-32(22-25-9-5-4-6-10-25)31(34(38)39-2)21-26-12-7-13-27(19-26)23-35/h4-20,31-32H,3,21-22H2,1-2H3,(H,36,37)