1-ethyl-6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-2-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-2-carboxylic acid Openeye Name: 7-(4-tert-butoxycarbonylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-2-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-oxo-2-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-2-carboxylic acid Traditional Name: 7-(4-tert-butoxycarbonylpiperazino)-1-ethyl-6-fluoro-4-keto-quinaldic acid Formula: C21H26FN3O5 MolecularWeight: 419.446643

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=O)C=C1C(=O)O)F)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=O)C=C1C(=O)O)F)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H26FN3O5/c1-5-25-15-11-16(14(22)10-13(15)18(26)12-17(25)19(27)28)23-6-8-24(9-7-23)20(29)30-21(2,3)4/h10-12H,5-9H2,1-4H3,(H,27,28)