2-oxidanylidene-6-pentyl-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid

Systemtic Name: 2-oxidanylidene-6-pentyl-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid Openeye Name: 2-oxo-6-pentyl-5-(4-pyridyl)-1H-pyridine-3-carboxylic acid CAS Name: 2-oxo-6-pentyl-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid IUPAC Name: 2-oxo-6-pentyl-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid Traditional Name: 6-amyl-2-keto-5-(4-pyridyl)-1H-pyridine-3-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=O)N1)C(=O)O)C2=CC=NC=C2

Isomeric SMILES

CCCCCC1=C(C=C(C(=O)N1)C(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C16H18N2O3/c1-2-3-4-5-14-12(11-6-8-17-9-7-11)10-13(16(20)21)15(19)18-14/h6-10H,2-5H2,1H3,(H,18,19)(H,20,21)