[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl benzoate

Systemtic Name: [5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl benzoate Openeye Name: [3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl benzoate CAS Name: benzoic acid [3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl ester IUPAC Name: [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl benzoate Traditional Name: benzoic acid (3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl ester Formula: C15H15NO4 MolecularWeight: 273.2839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)COC(=O)C2=CC=CC=C2)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)COC(=O)C2=CC=CC=C2)CO

InChI

InChI=1S/C15H15NO4/c1-10-14(18)13(12(8-17)7-16-10)9-20-15(19)11-5-3-2-4-6-11/h2-7,17-18H,8-9H2,1H3