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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methyl-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-2-(1-ethylhexyl)-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methyl-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methyl-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-2-(1-ethylhexyl)-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C22H28FNO3 MolecularWeight: 373.461023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FNO3/c1-4-6-7-8-14(5-2)20-18(22(26)27)21(25)17-12-15(23)11-13(3)19(17)24(20)16-9-10-16/h11-12,14,16H,4-10H2,1-3H3,(H,26,27)