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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-2-(1-methylheptyl)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=C(N1C3CC3)C=CC(=C2)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO3/c1-3-4-5-6-7-13(2)19-18(21(25)26)20(24)16-12-14(22)8-11-17(16)23(19)15-9-10-15/h8,11-13,15H,3-7,9-10H2,1-2H3,(H,25,26)