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

Systemtic Name: [(4-chlorophenyl)-[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl] ethanoate Openeye Name: [(4-chlorophenyl)-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl] acetate CAS Name: acetic acid [(4-chlorophenyl)-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl] ester IUPAC Name: [(4-chlorophenyl)-[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl] acetate Traditional Name: acetic acid [(4-chlorophenyl)-(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl] ester Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C(C2=CC=C(C=C2)Cl)OC(=O)C

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C(C2=CC=C(C=C2)Cl)OC(=O)C

InChI

InChI=1S/C16H16ClNO4/c1-9-15(21)14(8-19)13(7-18-9)16(22-10(2)20)11-3-5-12(17)6-4-11/h3-7,16,19,21H,8H2,1-2H3