1-cyclopropyl-6,7-bis(fluoranyl)-2-heptan-3-yl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,7-bis(fluoranyl)-2-heptan-3-yl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-2-(1-ethylpentyl)-6,7-difluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,7-difluoro-2-heptan-3-yl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,7-difluoro-2-heptan-3-yl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-2-(1-ethylpentyl)-6,7-difluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H25F2NO3 MolecularWeight: 377.424906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2NO3/c1-4-6-7-12(5-2)19-16(21(26)27)20(25)14-10-15(22)17(23)11(3)18(14)24(19)13-8-9-13/h10,12-13H,4-9H2,1-3H3,(H,26,27)