1-ethyl-6-fluoranyl-5-methyl-7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-5-methyl-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-5-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-5-methyl-7-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-5-methyl-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-5-methyl-quinoline-3-carboxylic acid Formula: C22H28FN3O5 MolecularWeight: 433.473223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O5/c1-6-25-11-14(20(28)29)19(27)17-12(2)18(23)16(9-15(17)25)26-8-7-13(10-26)24-21(30)31-22(3,4)5/h9,11,13H,6-8,10H2,1-5H3,(H,24,30)(H,28,29)