[5-(hydroxymethyl)-2-methyl-pyridin-3-yl] octanoate

Systemtic Name: [5-(hydroxymethyl)-2-methyl-pyridin-3-yl] octanoate Openeye Name: [5-(hydroxymethyl)-2-methyl-3-pyridyl] octanoate CAS Name: octanoic acid [5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methylpyridin-3-yl] octanoate Traditional Name: caprylic acid (2-methyl-5-methylol-3-pyridyl) ester Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=C(N=CC(=C1)CO)C

Isomeric SMILES

CCCCCCCC(=O)OC1=C(N=CC(=C1)CO)C

InChI

InChI=1S/C15H23NO3/c1-3-4-5-6-7-8-15(18)19-14-9-13(11-17)10-16-12(14)2/h9-10,17H,3-8,11H2,1-2H3