hexyl 6-methyl-2-oxidanylidene-5-pyridin-2-yl-1H-pyridine-3-carboxylate

Systemtic Name: hexyl 6-methyl-2-oxidanylidene-5-pyridin-2-yl-1H-pyridine-3-carboxylate Openeye Name: hexyl 6-methyl-2-oxo-5-(2-pyridyl)-1H-pyridine-3-carboxylate CAS Name: 6-methyl-2-oxo-5-(2-pyridinyl)-1H-pyridine-3-carboxylic acid hexyl ester IUPAC Name: hexyl 6-methyl-2-oxo-5-pyridin-2-yl-1H-pyridine-3-carboxylate Traditional Name: 2-keto-6-methyl-5-(2-pyridyl)-1H-pyridine-3-carboxylic acid hexyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=C(NC1=O)C)C2=CC=CC=N2

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=C(NC1=O)C)C2=CC=CC=N2

InChI

InChI=1S/C18H22N2O3/c1-3-4-5-8-11-23-18(22)15-12-14(13(2)20-17(15)21)16-9-6-7-10-19-16/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,20,21)