2-ethanoyl-4-oxidanylidene-3-pyridin-3-yl-hexanoic acid

Systemtic Name: 2-ethanoyl-4-oxidanylidene-3-pyridin-3-yl-hexanoic acid Openeye Name: 2-acetyl-4-oxo-3-(3-pyridyl)hexanoic acid CAS Name: 2-acetyl-4-oxo-3-(3-pyridinyl)hexanoic acid IUPAC Name: 2-acetyl-4-oxo-3-pyridin-3-ylhexanoic acid Traditional Name: 2-acetyl-4-keto-3-(3-pyridyl)hexanoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-3-10(16)12(9-5-4-6-14-7-9)11(8(2)15)13(17)18/h4-7,11-12H,3H2,1-2H3,(H,17,18)