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

Systemtic Name: 1-ethenyl-6-fluoranyl-2-heptan-3-yl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-(1-ethylpentyl)-6-fluoro-8-methyl-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-6-fluoro-2-heptan-3-yl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethenyl-6-fluoro-2-heptan-3-yl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-(1-ethylpentyl)-6-fluoro-4-keto-8-methyl-1-vinyl-quinoline-3-carboxylic acid Formula: C20H24FNO3 MolecularWeight: 345.407863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)C)F)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C=C)C)F)C(=O)O

InChI

InChI=1S/C20H24FNO3/c1-5-8-9-13(6-2)18-16(20(24)25)19(23)15-11-14(21)10-12(4)17(15)22(18)7-3/h7,10-11,13H,3,5-6,8-9H2,1-2,4H3,(H,24,25)