1-ethyl-7-[2-(hydroxymethyl)-6-methyl-pyridin-4-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-7-[2-(hydroxymethyl)-6-methyl-pyridin-4-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-[2-(hydroxymethyl)-6-methyl-4-pyridyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-[2-(hydroxymethyl)-6-methylpyridin-4-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-4-keto-7-(2-methyl-6-methylol-4-pyridyl)quinoline-3-carboxylic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC(=C3)CO)C)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC(=C3)CO)C)C(=O)O

InChI

InChI=1S/C19H18N2O4/c1-3-21-9-16(19(24)25)18(23)15-5-4-12(8-17(15)21)13-6-11(2)20-14(7-13)10-22/h4-9,22H,3,10H2,1-2H3,(H,24,25)