1-[[2-fluoranyl-4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[2-fluoranyl-4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[2-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[2-fluoro-4-(2-methoxy-5-pyrimidinyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[2-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[2-fluoro-4-(2-methoxypyrimidin-5-yl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C22H16FN3O4 MolecularWeight: 405.378543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=N1)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=CC=CC=C43)C(=O)O)F

Isomeric SMILES

COC1=NC=C(C=N1)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=CC=CC=C43)C(=O)O)F

InChI

InChI=1S/C22H16FN3O4/c1-30-22-24-9-15(10-25-22)13-6-7-14(18(23)8-13)11-26-12-17(21(28)29)20(27)16-4-2-3-5-19(16)26/h2-10,12H,11H2,1H3,(H,28,29)