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

Systemtic Name: (8S)-8-(bromomethyl)-4-oxidanyl-2-(trifluoromethyl)-6-[(5,6,7-trimethoxy-1-benzofuran-2-yl)carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid Openeye Name: (8S)-8-(bromomethyl)-4-hydroxy-2-(trifluoromethyl)-6-(5,6,7-trimethoxybenzofuran-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid CAS Name: (8S)-8-(bromomethyl)-4-hydroxy-6-[oxo-(5,6,7-trimethoxy-2-benzofuranyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid IUPAC Name: (8S)-8-(bromomethyl)-4-hydroxy-2-(trifluoromethyl)-6-(5,6,7-trimethoxy-1-benzofuran-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid Traditional Name: (8S)-8-(bromomethyl)-4-hydroxy-2-(trifluoromethyl)-6-(5,6,7-trimethoxybenzofuran-2-carbonyl)-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylic acid Formula: C25H20BrF3N2O8 MolecularWeight: 613.33411

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)C=C(O2)C(=O)N3CC(C4=C5C(=C(NC5=C(C=C43)O)C(F)(F)F)C(=O)O)CBr)OC)OC

Isomeric SMILES

COC1=C(C(=C2C(=C1)C=C(O2)C(=O)N3C[C@H](C4=C5C(=C(NC5=C(C=C43)O)C(F)(F)F)C(=O)O)CBr)OC)OC

InChI

InChI=1S/C25H20BrF3N2O8/c1-36-13-4-9-5-14(39-19(9)21(38-3)20(13)37-2)23(33)31-8-10(7-26)15-11(31)6-12(32)18-16(15)17(24(34)35)22(30-18)25(27,28)29/h4-6,10,30,32H,7-8H2,1-3H3,(H,34,35)/t10-/m1/s1