1-ethyl-5-octyl-4-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-ethyl-5-octyl-4-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-ethyl-5-octyl-4-oxo-pyridine-3-carboxylic acid CAS Name: 1-ethyl-5-octyl-4-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-ethyl-5-octyl-4-oxopyridine-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-5-octyl-nicotinic acid Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN(C=C(C1=O)C(=O)O)CC

Isomeric SMILES

CCCCCCCCC1=CN(C=C(C1=O)C(=O)O)CC

InChI

InChI=1S/C16H25NO3/c1-3-5-6-7-8-9-10-13-11-17(4-2)12-14(15(13)18)16(19)20/h11-12H,3-10H2,1-2H3,(H,19,20)