6-fluoranyl-1-(2-fluoranylethyl)-2-nonan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranylethyl)-2-nonan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoroethyl)-2-(1-methyloctyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoroethyl)-2-nonan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoroethyl)-2-nonan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoroethyl)-4-keto-2-(1-methyloctyl)quinoline-3-carboxylic acid Formula: C21H27F2NO3 MolecularWeight: 379.440786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)C1=C(C(=O)C2=C(N1CCF)C=CC(=C2)F)C(=O)O

Isomeric SMILES

CCCCCCCC(C)C1=C(C(=O)C2=C(N1CCF)C=CC(=C2)F)C(=O)O

InChI

InChI=1S/C21H27F2NO3/c1-3-4-5-6-7-8-14(2)19-18(21(26)27)20(25)16-13-15(23)9-10-17(16)24(19)12-11-22/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,26,27)