[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dodecanoate

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dodecanoate Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl dodecanoate CAS Name: dodecanoic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dodecanoate Traditional Name: lauric acid (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl ester Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1=CN=C(C(=C1CO)O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1=CN=C(C(=C1CO)O)C

InChI

InChI=1S/C20H33NO4/c1-3-4-5-6-7-8-9-10-11-12-19(23)25-15-17-13-21-16(2)20(24)18(17)14-22/h13,22,24H,3-12,14-15H2,1-2H3