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

Systemtic Name: 1-(3-methylbutyl)-6-[2-(2-methylpropyl)pyridin-4-yl]-2-oxidanylidene-5-(phenylmethyl)pyridine-3-carboxylic acid Openeye Name: 5-benzyl-6-(2-isobutyl-4-pyridyl)-1-isopentyl-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-(3-methylbutyl)-6-[2-(2-methylpropyl)-4-pyridinyl]-2-oxo-5-(phenylmethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-benzyl-1-(3-methylbutyl)-6-[2-(2-methylpropyl)pyridin-4-yl]-2-oxopyridine-3-carboxylic acid Traditional Name: 5-benzyl-1-isoamyl-6-(2-isobutyl-4-pyridyl)-2-keto-nicotinic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C=C(C1=O)C(=O)O)CC2=CC=CC=C2)C3=CC(=NC=C3)CC(C)C

Isomeric SMILES

CC(C)CCN1C(=C(C=C(C1=O)C(=O)O)CC2=CC=CC=C2)C3=CC(=NC=C3)CC(C)C

InChI

InChI=1S/C27H32N2O3/c1-18(2)11-13-29-25(21-10-12-28-23(16-21)14-19(3)4)22(15-20-8-6-5-7-9-20)17-24(26(29)30)27(31)32/h5-10,12,16-19H,11,13-15H2,1-4H3,(H,31,32)