1-octyl-4-oxidanylidene-6-phenyl-pyridine-3-carboxylic acid

Systemtic Name: 1-octyl-4-oxidanylidene-6-phenyl-pyridine-3-carboxylic acid Openeye Name: 1-octyl-4-oxo-6-phenyl-pyridine-3-carboxylic acid CAS Name: 1-octyl-4-oxo-6-phenyl-3-pyridinecarboxylic acid IUPAC Name: 1-octyl-4-oxo-6-phenylpyridine-3-carboxylic acid Traditional Name: 4-keto-1-octyl-6-phenyl-nicotinic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C(C(=O)C=C1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCN1C=C(C(=O)C=C1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C20H25NO3/c1-2-3-4-5-6-10-13-21-15-17(20(23)24)19(22)14-18(21)16-11-8-7-9-12-16/h7-9,11-12,14-15H,2-6,10,13H2,1H3,(H,23,24)