2-[4,5-bis(hydroxymethyl)-2-methyl-3-oxidanyl-2H-pyridin-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4,5-bis(hydroxymethyl)-2-methyl-3-oxidanyl-2H-pyridin-1-yl]-1-phenyl-ethanone Openeye Name: 2-[3-hydroxy-4,5-bis(hydroxymethyl)-2-methyl-2H-pyridin-1-yl]-1-phenyl-ethanone CAS Name: 2-[3-hydroxy-4,5-bis(hydroxymethyl)-2-methyl-2H-pyridin-1-yl]-1-phenylethanone IUPAC Name: 2-[3-hydroxy-4,5-bis(hydroxymethyl)-2-methyl-2H-pyridin-1-yl]-1-phenylethanone Traditional Name: 2-(3-hydroxy-2-methyl-4,5-dimethylol-2H-pyridin-1-yl)-1-phenyl-ethanone Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(C(=CN1CC(=O)C2=CC=CC=C2)CO)CO)O

Isomeric SMILES

CC1C(=C(C(=CN1CC(=O)C2=CC=CC=C2)CO)CO)O

InChI

InChI=1S/C16H19NO4/c1-11-16(21)14(10-19)13(9-18)7-17(11)8-15(20)12-5-3-2-4-6-12/h2-7,11,18-19,21H,8-10H2,1H3