[5-(hydroxymethyl)-4-methanoyl-2-methyl-pyridin-3-yl] 4-methylbenzoate

Systemtic Name: [5-(hydroxymethyl)-4-methanoyl-2-methyl-pyridin-3-yl] 4-methylbenzoate Openeye Name: [4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [4-formyl-5-(hydroxymethyl)-2-methylpyridin-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (4-formyl-2-methyl-5-methylol-3-pyridyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C(=CN=C2C)CO)C=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C(=CN=C2C)CO)C=O

InChI

InChI=1S/C16H15NO4/c1-10-3-5-12(6-4-10)16(20)21-15-11(2)17-7-13(8-18)14(15)9-19/h3-7,9,18H,8H2,1-2H3