8-fluoranyl-1-[[4-(1H-indol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[4-(1H-indol-4-yl)phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[4-(1H-indol-4-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[4-(1H-indol-4-yl)phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[4-(1H-indol-4-yl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-1-[4-(1H-indol-4-yl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C25H17FN2O3 MolecularWeight: 412.412483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=CNC2=C1)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C(=CC=C5)F)C(=O)O

Isomeric SMILES

C1=CC(=C2C=CNC2=C1)C3=CC=C(C=C3)CN4C=C(C(=O)C5=C4C(=CC=C5)F)C(=O)O

InChI

InChI=1S/C25H17FN2O3/c26-21-5-1-4-19-23(21)28(14-20(24(19)29)25(30)31)13-15-7-9-16(10-8-15)17-3-2-6-22-18(17)11-12-27-22/h1-12,14,27H,13H2,(H,30,31)