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

Systemtic Name: [5-(acetyloxymethyl)-2-methyl-pyridin-3-yl] octadecanoate Openeye Name: [5-(acetoxymethyl)-2-methyl-3-pyridyl] octadecanoate CAS Name: octadecanoic acid [5-(acetyloxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(acetyloxymethyl)-2-methylpyridin-3-yl] octadecanoate Traditional Name: stearic acid [5-(acetoxymethyl)-2-methyl-3-pyridyl] ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(30)32-26-20-25(21-28-23(26)2)22-31-24(3)29/h20-21H,4-19,22H2,1-3H3