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

Systemtic Name: 8-cyano-1-cyclopropyl-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-6-fluoro-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-6-fluoro-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-6-fluoro-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-6-fluoro-4-keto-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=C(N1C3CC3)C(=CC(=C2)F)C#N)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=C(N1C3CC3)C(=CC(=C2)F)C#N)C(=O)O

InChI

InChI=1S/C22H25FN2O3/c1-3-4-5-6-7-13(2)19-18(22(27)28)21(26)17-11-15(23)10-14(12-24)20(17)25(19)16-8-9-16/h10-11,13,16H,3-9H2,1-2H3,(H,27,28)