8-chloranyl-1-cyclopropyl-6-fluoranyl-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-2-(1-ethylhexyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-2-(1-ethylhexyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H25ClFNO3 MolecularWeight: 393.879503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)Cl)F)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)Cl)F)C(=O)O

InChI

InChI=1S/C21H25ClFNO3/c1-3-5-6-7-12(4-2)18-17(21(26)27)20(25)15-10-13(23)11-16(22)19(15)24(18)14-8-9-14/h10-12,14H,3-9H2,1-2H3,(H,26,27)