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

Systemtic Name: 6-fluoranyl-1-heptan-3-yl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1-ethylpentyl)-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-heptan-3-yl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-heptan-3-yl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(1-ethylpentyl)-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C18H22FNO3 MolecularWeight: 319.370583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C=C(C(=O)C2=CC(=CC(=C21)C)F)C(=O)O

Isomeric SMILES

CCCCC(CC)N1C=C(C(=O)C2=CC(=CC(=C21)C)F)C(=O)O

InChI

InChI=1S/C18H22FNO3/c1-4-6-7-13(5-2)20-10-15(18(22)23)17(21)14-9-12(19)8-11(3)16(14)20/h8-10,13H,4-7H2,1-3H3,(H,22,23)