ethyl 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridin-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridyl]acetate CAS Name: 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridin-3-yl]acetate Traditional Name: 2-[6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-3-pyridyl]acetic acid ethyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)CC(=O)OCC

InChI

InChI=1S/C27H28N2O3/c1-3-5-9-24-16-15-22(17-26(30)32-4-2)27(31)29(24)19-20-11-13-21(14-12-20)25-10-7-6-8-23(25)18-28/h6-8,10-16H,3-5,9,17,19H2,1-2H3