1-ethyl-6-fluoranyl-8-methoxy-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-8-methoxy-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-8-methoxy-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-8-methoxy-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-8-methoxy-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-8-methoxy-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C21H28FNO4 MolecularWeight: 377.449723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1CC)OC)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1CC)OC)F)C(=O)O

InChI

InChI=1S/C21H28FNO4/c1-5-7-8-9-10-13(3)18-17(21(25)26)20(24)15-11-14(22)12-16(27-4)19(15)23(18)6-2/h11-13H,5-10H2,1-4H3,(H,25,26)