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

Systemtic Name: 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-pyridine-3-carboxylic acid CAS Name: 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylic acid Traditional Name: 6-butyl-1-[4-(2-cyanophenyl)benzyl]-2-keto-nicotinic acid Formula: C24H22N2O3 MolecularWeight: 386.44308

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O3/c1-2-3-7-20-13-14-22(24(28)29)23(27)26(20)16-17-9-11-18(12-10-17)21-8-5-4-6-19(21)15-25/h4-6,8-14H,2-3,7,16H2,1H3,(H,28,29)