7-(4-decanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-decanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-decanoylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxodecyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-decanoylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-caprylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H36FN3O4 MolecularWeight: 473.580143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

Isomeric SMILES

CCCCCCCCCC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC)F

InChI

InChI=1S/C26H36FN3O4/c1-3-5-6-7-8-9-10-11-24(31)30-14-12-29(13-15-30)23-17-22-19(16-21(23)27)25(32)20(26(33)34)18-28(22)4-2/h16-18H,3-15H2,1-2H3,(H,33,34)