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

Systemtic Name: 1-[[2-fluoranyl-4-(3-fluoranylpyridin-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[2-fluoro-4-(3-fluoro-4-pyridyl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[2-fluoro-4-(3-fluoro-4-pyridinyl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[2-fluoro-4-(3-fluoropyridin-4-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[2-fluoro-4-(3-fluoro-4-pyridyl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C22H14F2N2O3 MolecularWeight: 392.354966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CN2CC3=C(C=C(C=C3)C4=C(C=NC=C4)F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2CC3=C(C=C(C=C3)C4=C(C=NC=C4)F)F)C(=O)O

InChI

InChI=1S/C22H14F2N2O3/c23-18-9-13(15-7-8-25-10-19(15)24)5-6-14(18)11-26-12-17(22(28)29)21(27)16-3-1-2-4-20(16)26/h1-10,12H,11H2,(H,28,29)