3-ethyl-2-pyridin-4-ylcarbonyl-octanoate

Systemtic Name: 3-ethyl-2-pyridin-4-ylcarbonyl-octanoate Openeye Name: 3-ethyl-2-(pyridine-4-carbonyl)octanoate CAS Name: 3-ethyl-2-[oxo(pyridin-4-yl)methyl]octanoate IUPAC Name: 3-ethyl-2-(pyridine-4-carbonyl)octanoate Traditional Name: 3-ethyl-2-isonicotinoyl-caprylate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=CC=NC=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=CC=NC=C1)C(=O)[O-]

InChI

InChI=1S/C16H23NO3/c1-3-5-6-7-12(4-2)14(16(19)20)15(18)13-8-10-17-11-9-13/h8-12,14H,3-7H2,1-2H3,(H,19,20)/p-1