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

Systemtic Name: [5-(hydroxymethyl)-2-methyl-pyridin-3-yl] dodecanoate Openeye Name: [5-(hydroxymethyl)-2-methyl-3-pyridyl] dodecanoate CAS Name: dodecanoic acid [5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methylpyridin-3-yl] dodecanoate Traditional Name: lauric acid (2-methyl-5-methylol-3-pyridyl) ester Formula: C19H31NO3 MolecularWeight: 321.45434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31NO3/c1-3-4-5-6-7-8-9-10-11-12-19(22)23-18-13-17(15-21)14-20-16(18)2/h13-14,21H,3-12,15H2,1-2H3