(2R,4R)-4-(8-bromanyl-2-ethoxy-7-methoxy-quinolin-4-yl)oxy-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-1-[3,3,3-tris(fluoranyl)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R,4R)-4-(8-bromanyl-2-ethoxy-7-methoxy-quinolin-4-yl)oxy-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]-1-[3,3,3-tris(fluoranyl)propanoyl]pyrrolidine-2-carboxamide Openeye Name: (2R,4R)-4-[(8-bromo-2-ethoxy-7-methoxy-4-quinolyl)oxy]-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide CAS Name: (2R,4R)-4-[(8-bromo-2-ethoxy-7-methoxy-4-quinolinyl)oxy]-N-[(1R,2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]-1-(3,3,3-trifluoro-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2R,4R)-4-(8-bromo-2-ethoxy-7-methoxyquinolin-4-yl)oxy-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide Traditional Name: (2R,4R)-4-[(8-bromo-2-ethoxy-7-methoxy-4-quinolyl)oxy]-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]-1-(3,3,3-trifluoropropanoyl)pyrrolidine-2-carboxamide Formula: C29H32BrF3N4O8S MolecularWeight: 733.55059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=CC(=C2Br)OC)C(=C1)OC3CC(N(C3)C(=O)CC(F)(F)F)C(=O)NC4(CC4C=C)C(=O)NS(=O)(=O)C5CC5

Isomeric SMILES

CCOC1=NC2=C(C=CC(=C2Br)OC)C(=C1)O[C@@H]3C[C@@H](N(C3)C(=O)CC(F)(F)F)C(=O)N[C@@]4(C[C@H]4C=C)C(=O)NS(=O)(=O)C5CC5

InChI

InChI=1S/C29H32BrF3N4O8S/c1-4-15-12-28(15,27(40)36-46(41,42)17-6-7-17)35-26(39)19-10-16(14-37(19)23(38)13-29(31,32)33)45-21-11-22(44-5-2)34-25-18(21)8-9-20(43-3)24(25)30/h4,8-9,11,15-17,19H,1,5-7,10,12-14H2,2-3H3,(H,35,39)(H,36,40)/t15-,16-,19-,28-/m1/s1