1-ethyl-6-fluoranyl-8-methoxy-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-8-methoxy-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(tert-butoxycarbonylamino)pyrrolidin-1-yl]-1-ethyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-8-methoxy-7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-8-methoxy-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(tert-butoxycarbonylamino)pyrrolidino]-1-ethyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H28FN3O6 MolecularWeight: 449.472623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC)N3CCC(C3)NC(=O)OC(C)(C)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC)N3CCC(C3)NC(=O)OC(C)(C)C)F)C(=O)O

InChI

InChI=1S/C22H28FN3O6/c1-6-25-11-14(20(28)29)18(27)13-9-15(23)17(19(31-5)16(13)25)26-8-7-12(10-26)24-21(30)32-22(2,3)4/h9,11-12H,6-8,10H2,1-5H3,(H,24,30)(H,28,29)