dimethyl 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]propanedioate CAS Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]propanedioate Traditional Name: 2-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]malonic acid dimethyl ester Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-7-11(16)10(6-15)8(5-14-7)4-9(12(17)19-2)13(18)20-3/h5,9,15-16H,4,6H2,1-3H3