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

Systemtic Name: 6-fluoranyl-1-(2-fluoranylethyl)-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoroethyl)-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(2-fluoroethyl)-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoroethyl)-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoroethyl)-4-keto-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C20H25F2NO3 MolecularWeight: 365.414206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25F2NO3/c1-3-4-5-6-7-13(2)18-17(20(25)26)19(24)15-12-14(22)8-9-16(15)23(18)11-10-21/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,25,26)