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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-undecanoylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(4-undecanoylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxoundecyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-undecanoylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-undecanoylpiperazino)quinoline-3-carboxylic acid Formula: C27H38FN3O4 MolecularWeight: 487.606723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38FN3O4/c1-3-5-6-7-8-9-10-11-12-25(32)31-15-13-30(14-16-31)24-18-23-20(17-22(24)28)26(33)21(27(34)35)19-29(23)4-2/h17-19H,3-16H2,1-2H3,(H,34,35)