8-chloranyl-6-fluoranyl-1-(1-fluoranylcyclopropyl)-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-fluoranyl-1-(1-fluoranylcyclopropyl)-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-2-(1-ethylpentyl)-6-fluoro-1-(1-fluorocyclopropyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-(1-fluorocyclopropyl)-2-heptan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-(1-fluorocyclopropyl)-2-heptan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-2-(1-ethylpentyl)-6-fluoro-1-(1-fluorocyclopropyl)-4-keto-quinoline-3-carboxylic acid Formula: C20H22ClF2NO3 MolecularWeight: 397.843386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3(CC3)F)Cl)F)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3(CC3)F)Cl)F)C(=O)O

InChI

InChI=1S/C20H22ClF2NO3/c1-3-5-6-11(4-2)16-15(19(26)27)18(25)13-9-12(22)10-14(21)17(13)24(16)20(23)7-8-20/h9-11H,3-8H2,1-2H3,(H,26,27)