1-ethenyl-6-fluoranyl-8-methyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethenyl-6-fluoranyl-8-methyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-8-methyl-2-(1-methylheptyl)-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6-fluoro-8-methyl-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethenyl-6-fluoro-8-methyl-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-8-methyl-2-(1-methylheptyl)-1-vinyl-quinoline-3-carboxylic acid Formula: C21H26FNO3 MolecularWeight: 359.434443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)C)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)C)F)C(=O)O

InChI

InChI=1S/C21H26FNO3/c1-5-7-8-9-10-13(3)19-17(21(25)26)20(24)16-12-15(22)11-14(4)18(16)23(19)6-2/h6,11-13H,2,5,7-10H2,1,3-4H3,(H,25,26)