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

Systemtic Name: [5-(hydroxymethyl)-2-methyl-pyridin-3-yl] octadecanoate Openeye Name: [5-(hydroxymethyl)-2-methyl-3-pyridyl] octadecanoate CAS Name: octadecanoic acid [5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methylpyridin-3-yl] octadecanoate Traditional Name: stearic acid (2-methyl-5-methylol-3-pyridyl) ester Formula: C25H43NO3 MolecularWeight: 405.61382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)29-24-19-23(21-27)20-26-22(24)2/h19-20,27H,3-18,21H2,1-2H3