8-fluoranyl-4-oxidanylidene-1-[(4-pyrimidin-5-ylphenyl)methyl]quinoline-3-carboxylic acid

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

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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=CN=CN=C4

Isomeric SMILES

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

InChI

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