2,6-dimethyl-4-oxidanylidene-1-pentyl-pyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-oxidanylidene-1-pentyl-pyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-4-oxo-1-pentyl-pyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-oxo-1-pentyl-3-pyridinecarboxylic acid IUPAC Name: 2,6-dimethyl-4-oxo-1-pentylpyridine-3-carboxylic acid Traditional Name: 1-amyl-4-keto-2,6-dimethyl-nicotinic acid Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC(=O)C(=C1C)C(=O)O)C

Isomeric SMILES

CCCCCN1C(=CC(=O)C(=C1C)C(=O)O)C

InChI

InChI=1S/C13H19NO3/c1-4-5-6-7-14-9(2)8-11(15)12(10(14)3)13(16)17/h8H,4-7H2,1-3H3,(H,16,17)