6-fluoranyl-1-(2-fluoranylethyl)-8-methyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(2-fluoranylethyl)-8-methyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoroethyl)-8-methyl-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoroethyl)-8-methyl-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoroethyl)-8-methyl-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoroethyl)-4-keto-8-methyl-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C21H27F2NO3 MolecularWeight: 379.440786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1CCF)C)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1CCF)C)F)C(=O)O

InChI

InChI=1S/C21H27F2NO3/c1-4-5-6-7-8-13(2)19-17(21(26)27)20(25)16-12-15(23)11-14(3)18(16)24(19)10-9-22/h11-13H,4-10H2,1-3H3,(H,26,27)