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

Systemtic Name: 6-fluoranyl-1-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C18H22FNO3 MolecularWeight: 319.370583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)N1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)O

InChI

InChI=1S/C18H22FNO3/c1-3-4-5-6-7-12(2)20-11-15(18(22)23)17(21)14-10-13(19)8-9-16(14)20/h8-12H,3-7H2,1-2H3,(H,22,23)