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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CC(C)CC1=CC=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C25H24N2O3/c1-17(2)14-21-12-13-23(25(29)30-3)24(28)27(21)16-18-8-10-19(11-9-18)22-7-5-4-6-20(22)15-26/h4-13,17H,14,16H2,1-3H3