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

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-tetradecanoylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(4-tetradecanoylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxotetradecyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-tetradecanoylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-tetradecanoylpiperazino)quinoline-3-carboxylic acid Formula: C30H44FN3O4 MolecularWeight: 529.686463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44FN3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-28(35)34-18-16-33(17-19-34)27-21-26-23(20-25(27)31)29(36)24(30(37)38)22-32(26)4-2/h20-22H,3-19H2,1-2H3,(H,37,38)