[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl 4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl 4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl 4-oxo-1H-quinoline-2-carboxylate CAS Name: 4-oxo-1H-quinoline-2-carboxylic acid [5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl ester IUPAC Name: [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl 4-oxo-1H-quinoline-2-carboxylate Traditional Name: 4-keto-1H-quinoline-2-carboxylic acid (5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)COC(=O)C2=CC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H16N2O5/c1-10-17(23)13(8-21)11(7-19-10)9-25-18(24)15-6-16(22)12-4-2-3-5-14(12)20-15/h2-7,21,23H,8-9H2,1H3,(H,20,22)