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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-tridecanoylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(4-tridecanoylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxotridecyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-tridecanoylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-tridecanoylpiperazino)quinoline-3-carboxylic acid Formula: C29H42FN3O4 MolecularWeight: 515.659883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42FN3O4/c1-3-5-6-7-8-9-10-11-12-13-14-27(34)33-17-15-32(16-18-33)26-20-25-22(19-24(26)30)28(35)23(29(36)37)21-31(25)4-2/h19-21H,3-18H2,1-2H3,(H,36,37)