(5-acetyloxy-6-methyl-pyridin-3-yl)methyl octadecanoate

Systemtic Name: (5-acetyloxy-6-methyl-pyridin-3-yl)methyl octadecanoate Openeye Name: (5-acetoxy-6-methyl-3-pyridyl)methyl octadecanoate CAS Name: octadecanoic acid (5-acetyloxy-6-methyl-3-pyridinyl)methyl ester IUPAC Name: (5-acetyloxy-6-methylpyridin-3-yl)methyl octadecanoate Traditional Name: stearic acid (5-acetoxy-6-methyl-3-pyridyl)methyl ester Formula: C27H45NO4 MolecularWeight: 447.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(N=C1)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1=CC(=C(N=C1)C)OC(=O)C

InChI

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