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

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(1-ethylpentyl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-2-heptan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-2-heptan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(1-ethylpentyl)-6,8-difluoro-1-(2-fluoroethyl)-4-keto-quinoline-3-carboxylic acid Formula: C19H22F3NO3 MolecularWeight: 369.37809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22F3NO3/c1-3-5-6-11(4-2)16-15(19(25)26)18(24)13-9-12(21)10-14(22)17(13)23(16)8-7-20/h9-11H,3-8H2,1-2H3,(H,25,26)