(8S)-8-(bromomethyl)-4-(4-methylpiperazin-1-yl)carbonyloxy-2-(trifluoromethyl)-6-[(5,6,7-trimethoxy-1-benzofuran-2-yl)carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

Systemtic Name: (8S)-8-(bromomethyl)-4-(4-methylpiperazin-1-yl)carbonyloxy-2-(trifluoromethyl)-6-[(5,6,7-trimethoxy-1-benzofuran-2-yl)carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Openeye Name: (8S)-8-(bromomethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-6-(5,6,7-trimethoxybenzofuran-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate CAS Name: (8S)-8-(bromomethyl)-4-[(4-methyl-1-piperazinyl)-oxomethoxy]-6-[oxo-(5,6,7-trimethoxy-2-benzofuranyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate IUPAC Name: (8S)-8-(bromomethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-6-(5,6,7-trimethoxy-1-benzofuran-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Traditional Name: (8S)-8-(bromomethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-6-(5,6,7-trimethoxybenzofuran-2-carbonyl)-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylate Formula: C31H29BrF3N4O9- MolecularWeight: 738.48257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2=C3C(=C4C(CN(C4=C2)C(=O)C5=CC6=CC(=C(C(=C6O5)OC)OC)OC)CBr)C(=C(N3)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)OC2=C3C(=C4[C@@H](CN(C4=C2)C(=O)C5=CC6=CC(=C(C(=C6O5)OC)OC)OC)CBr)C(=C(N3)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C31H30BrF3N4O9/c1-37-5-7-38(8-6-37)30(43)48-17-11-16-20(21-22(29(41)42)27(31(33,34)35)36-23(17)21)15(12-32)13-39(16)28(40)19-10-14-9-18(44-2)25(45-3)26(46-4)24(14)47-19/h9-11,15,36H,5-8,12-13H2,1-4H3,(H,41,42)/p-1/t15-/m1/s1