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

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)phenyl]carbonylamino]-4-pyridin-3-yl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-(3-pyridyl)butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[[4-(3-ethylphenyl)phenyl]-oxomethyl]amino]-4-(3-pyridinyl)butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-pyridin-3-ylbutanoate Traditional Name: 2-(3-cyanobenzyl)-3-[[4-(3-ethylphenyl)benzoyl]amino]-4-(3-pyridyl)butyric acid methyl ester Formula: C33H31N3O3 MolecularWeight: 517.61754

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)NC(CC3=CN=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=CN=CC=C3)C(CC4=CC=CC(=C4)C#N)C(=O)OC

InChI

InChI=1S/C33H31N3O3/c1-3-23-7-5-11-29(18-23)27-12-14-28(15-13-27)32(37)36-31(20-26-10-6-16-35-22-26)30(33(38)39-2)19-24-8-4-9-25(17-24)21-34/h4-18,22,30-31H,3,19-20H2,1-2H3,(H,36,37)