[8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate

Systemtic Name: [8-chloranyl-1-cyclopropyl-6-fluoranyl-7-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxidanylidene-quinolin-3-yl] hydrogen carbonate Openeye Name: [7-[4-[tert-butoxycarbonyl(methyl)amino]-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [8-chloro-1-cyclopropyl-6-fluoro-7-[4-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxo-3-quinolinyl] ester IUPAC Name: [8-chloro-1-cyclopropyl-6-fluoro-7-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-4-oxoquinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[4-[tert-butoxycarbonyl(methyl)amino]-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl] ester Formula: C27H31ClFN3O6 MolecularWeight: 548.002943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1C=CCC2C1CN(C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5CC5)F

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1C=CCC2C1CN(C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)OC(=O)O)C5CC5)F

InChI

InChI=1S/C27H31ClFN3O6/c1-27(2,3)38-25(34)30(4)19-7-5-6-14-11-31(12-17(14)19)23-18(29)10-16-22(21(23)28)32(15-8-9-15)13-20(24(16)33)37-26(35)36/h5,7,10,13-15,17,19H,6,8-9,11-12H2,1-4H3,(H,35,36)