1-cyclopropyl-6-fluoranyl-2-heptan-3-yl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)C)F)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)C)F)C(=O)O

InChI

InChI=1S/C21H26FNO3/c1-4-6-7-13(5-2)19-17(21(25)26)20(24)16-11-14(22)10-12(3)18(16)23(19)15-8-9-15/h10-11,13,15H,4-9H2,1-3H3,(H,25,26)