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

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(1-ethylhexyl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(1-ethylhexyl)-6,8-difluoro-1-(2-fluoroethyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H24F3NO3 MolecularWeight: 383.40467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24F3NO3/c1-3-5-6-7-12(4-2)17-16(20(26)27)19(25)14-10-13(22)11-15(23)18(14)24(17)9-8-21/h10-12H,3-9H2,1-2H3,(H,26,27)