methyl 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-pyridine-3-carboxylate CAS Name: 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate Traditional Name: 6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-nicotinic acid methyl ester Formula: C25H24N2O3 MolecularWeight: 400.46966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3/c1-3-4-8-21-14-15-23(25(29)30-2)24(28)27(21)17-18-10-12-19(13-11-18)22-9-6-5-7-20(22)16-26/h5-7,9-15H,3-4,8,17H2,1-2H3