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

Systemtic Name: 7-(4-dodecanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-dodecanoylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxododecyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-dodecanoylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-lauroylpiperazino)quinoline-3-carboxylic acid Formula: C28H40FN3O4 MolecularWeight: 501.633303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40FN3O4/c1-3-5-6-7-8-9-10-11-12-13-26(33)32-16-14-31(15-17-32)25-19-24-21(18-23(25)29)27(34)22(28(35)36)20-30(24)4-2/h18-20H,3-17H2,1-2H3,(H,35,36)