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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1OC(=O)C2=CC=CC=C2)CO)CO

Isomeric SMILES

CC1=NC=C(C(=C1OC(=O)C2=CC=CC=C2)CO)CO

InChI

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