1-cyclopropyl-6-fluoranyl-8-methyl-2-octan-3-yl-5-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methyl-2-octan-3-yl-5-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-2-(1-ethylhexyl)-6-fluoro-5-hydroxy-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-5-hydroxy-8-methyl-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-5-hydroxy-8-methyl-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-2-(1-ethylhexyl)-6-fluoro-5-hydroxy-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(C(=O)C2=C(N1C3CC3)C(=CC(=C2O)F)C)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1=C(C(=O)C2=C(N1C3CC3)C(=CC(=C2O)F)C)C(=O)O

InChI

InChI=1S/C22H28FNO4/c1-4-6-7-8-13(5-2)19-17(22(27)28)21(26)16-18(24(19)14-9-10-14)12(3)11-15(23)20(16)25/h11,13-14,25H,4-10H2,1-3H3,(H,27,28)