5-(dodecoxymethyl)-1-ethyl-6-fluoranyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-(dodecoxymethyl)-1-ethyl-6-fluoranyl-4-oxidanylidene-2-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-(dodecoxymethyl)-1-ethyl-6-fluoro-4-oxo-2-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-(dodecoxymethyl)-1-ethyl-6-fluoro-4-oxo-2-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-(dodecoxymethyl)-1-ethyl-6-fluoro-4-oxo-2-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-5-(lauryloxymethyl)-2-piperazino-quinoline-3-carboxylic acid Formula: C29H44FN3O4 MolecularWeight: 517.675763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC1=C(C=CC2=C1C(=O)C(=C(N2CC)N3CCNCC3)C(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCOCC1=C(C=CC2=C1C(=O)C(=C(N2CC)N3CCNCC3)C(=O)O)F

InChI

InChI=1S/C29H44FN3O4/c1-3-5-6-7-8-9-10-11-12-13-20-37-21-22-23(30)14-15-24-25(22)27(34)26(29(35)36)28(33(24)4-2)32-18-16-31-17-19-32/h14-15,31H,3-13,16-21H2,1-2H3,(H,35,36)