6-methyl-1-(2-methylhexyl)-2-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 6-methyl-1-(2-methylhexyl)-2-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 6-methyl-1-(2-methylhexyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 6-methyl-1-(2-methylhexyl)-2-oxo-3-pyridinecarboxylic acid IUPAC Name: 6-methyl-1-(2-methylhexyl)-2-oxopyridine-3-carboxylic acid Traditional Name: 2-keto-6-methyl-1-(2-methylhexyl)nicotinic acid Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CN1C(=CC=C(C1=O)C(=O)O)C

Isomeric SMILES

CCCCC(C)CN1C(=CC=C(C1=O)C(=O)O)C

InChI

InChI=1S/C14H21NO3/c1-4-5-6-10(2)9-15-11(3)7-8-12(13(15)16)14(17)18/h7-8,10H,4-6,9H2,1-3H3,(H,17,18)