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

Systemtic Name: [5-(hydroxymethyl)-2-methyl-pyridin-3-yl] pentanoate Openeye Name: [5-(hydroxymethyl)-2-methyl-3-pyridyl] pentanoate CAS Name: pentanoic acid [5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methylpyridin-3-yl] pentanoate Traditional Name: valeric acid (2-methyl-5-methylol-3-pyridyl) ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3/c1-3-4-5-12(15)16-11-6-10(8-14)7-13-9(11)2/h6-7,14H,3-5,8H2,1-2H3