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

Systemtic Name: 8-fluoranyl-4-oxidanylidene-1-[(5-phenylpyrimidin-2-yl)methyl]quinoline-3-carboxylic acid Openeye Name: 8-fluoro-4-oxo-1-[(5-phenylpyrimidin-2-yl)methyl]quinoline-3-carboxylic acid CAS Name: 8-fluoro-4-oxo-1-[(5-phenyl-2-pyrimidinyl)methyl]-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-4-oxo-1-[(5-phenylpyrimidin-2-yl)methyl]quinoline-3-carboxylic acid Traditional Name: 8-fluoro-4-keto-1-[(5-phenylpyrimidin-2-yl)methyl]quinoline-3-carboxylic acid Formula: C21H14FN3O3 MolecularWeight: 375.352563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

InChI

InChI=1S/C21H14FN3O3/c22-17-8-4-7-15-19(17)25(11-16(20(15)26)21(27)28)12-18-23-9-14(10-24-18)13-5-2-1-3-6-13/h1-11H,12H2,(H,27,28)