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

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl octanoate Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl octanoate CAS Name: octanoic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl octanoate Traditional Name: caprylic acid (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl ester Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4/c1-3-4-5-6-7-8-15(19)21-11-13-9-17-12(2)16(20)14(13)10-18/h9,18,20H,3-8,10-11H2,1-2H3