[1-cyclopropyl-8-ethynyl-6-fluoranyl-7-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [1-cyclopropyl-8-ethynyl-6-fluoranyl-7-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [7-[3-(tert-butoxycarbonylamino)-3-methyl-pyrrolidin-1-yl]-1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-cyclopropyl-8-ethynyl-6-fluoro-7-[3-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidinyl]-4-oxo-3-quinolinyl] ester IUPAC Name: [1-cyclopropyl-8-ethynyl-6-fluoro-7-[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[3-(tert-butoxycarbonylamino)-3-methyl-pyrrolidino]-1-cyclopropyl-8-ethynyl-6-fluoro-4-keto-3-quinolyl] ester Formula: C25H28FN3O6 MolecularWeight: 485.504723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)OC(=O)O)C4CC4)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1(CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)OC(=O)O)C4CC4)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H28FN3O6/c1-6-15-19-16(21(30)18(34-23(32)33)12-29(19)14-7-8-14)11-17(26)20(15)28-10-9-25(5,13-28)27-22(31)35-24(2,3)4/h1,11-12,14H,7-10,13H2,2-5H3,(H,27,31)(H,32,33)