8-fluoranyl-1-[[4-[6-(hydroxymethyl)pyridin-2-yl]phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[4-[6-(hydroxymethyl)pyridin-2-yl]phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[4-[6-(hydroxymethyl)-2-pyridyl]phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[4-[6-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[4-[6-(hydroxymethyl)pyridin-2-yl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[4-(6-methylol-2-pyridyl)benzyl]quinoline-3-carboxylic acid Formula: C23H17FN2O4 MolecularWeight: 404.390483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CC=C(C=C3)C4=NC(=CC=C4)CO

Isomeric SMILES

C1=CC2=C(C(=C1)F)N(C=C(C2=O)C(=O)O)CC3=CC=C(C=C3)C4=NC(=CC=C4)CO

InChI

InChI=1S/C23H17FN2O4/c24-19-5-2-4-17-21(19)26(12-18(22(17)28)23(29)30)11-14-7-9-15(10-8-14)20-6-1-3-16(13-27)25-20/h1-10,12,27H,11,13H2,(H,29,30)