1-(3-methylbutyl)-5-(2-methylpropyl)-6-[2-(2-methylpropyl)pyridin-4-yl]-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(3-methylbutyl)-5-(2-methylpropyl)-6-[2-(2-methylpropyl)pyridin-4-yl]-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 5-isobutyl-6-(2-isobutyl-4-pyridyl)-1-isopentyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-(3-methylbutyl)-5-(2-methylpropyl)-6-[2-(2-methylpropyl)-4-pyridinyl]-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(3-methylbutyl)-5-(2-methylpropyl)-6-[2-(2-methylpropyl)pyridin-4-yl]-2-oxopyridine-3-carboxylic acid Traditional Name: 1-isoamyl-5-isobutyl-6-(2-isobutyl-4-pyridyl)-2-keto-nicotinic acid Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C=C(C1=O)C(=O)O)CC(C)C)C2=CC(=NC=C2)CC(C)C

Isomeric SMILES

CC(C)CCN1C(=C(C=C(C1=O)C(=O)O)CC(C)C)C2=CC(=NC=C2)CC(C)C

InChI

InChI=1S/C24H34N2O3/c1-15(2)8-10-26-22(18-7-9-25-20(13-18)12-17(5)6)19(11-16(3)4)14-21(23(26)27)24(28)29/h7,9,13-17H,8,10-12H2,1-6H3,(H,28,29)