1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-undec-10-enoylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-(4-undec-10-enoylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-(4-undec-10-enoylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(1-oxoundec-10-enyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-(4-undec-10-enoylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-undec-10-enoylpiperazino)quinoline-3-carboxylic acid Formula: C27H36FN3O4 MolecularWeight: 485.590843

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCCCCCCCC=C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCCCCCCCC=C)F)C(=O)O

InChI

InChI=1S/C27H36FN3O4/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/h3,17-19H,1,4-16H2,2H3,(H,34,35)