5-nonyl-4-oxidanylidene-1-prop-2-enyl-pyridine-3-carboxylic acid

Systemtic Name: 5-nonyl-4-oxidanylidene-1-prop-2-enyl-pyridine-3-carboxylic acid Openeye Name: 1-allyl-5-nonyl-4-oxo-pyridine-3-carboxylic acid CAS Name: 5-nonyl-4-oxo-1-prop-2-enyl-3-pyridinecarboxylic acid IUPAC Name: 5-nonyl-4-oxo-1-prop-2-enylpyridine-3-carboxylic acid Traditional Name: 1-allyl-4-keto-5-nonyl-nicotinic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN(C=C(C1=O)C(=O)O)CC=C

Isomeric SMILES

CCCCCCCCCC1=CN(C=C(C1=O)C(=O)O)CC=C

InChI

InChI=1S/C18H27NO3/c1-3-5-6-7-8-9-10-11-15-13-19(12-4-2)14-16(17(15)20)18(21)22/h4,13-14H,2-3,5-12H2,1H3,(H,21,22)