1-ethyl-6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-(4-tert-butoxycarbonylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 7-(4-tert-butoxycarbonylpiperazino)-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C21H25FN3O5- MolecularWeight: 418.438703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OC(C)(C)C)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OC(C)(C)C)F)C(=O)[O-]

InChI

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