methyl (8S)-8-(chloromethyl)-6-[(E)-3-[4-[(E)-3-[(8S)-8-(chloromethyl)-1-methoxycarbonyl-4-oxidanyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxidanylidene-prop-1-enyl]-2,5-dimethoxy-phenyl]prop-2-enoyl]-4-oxidanyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

Systemtic Name: methyl (8S)-8-(chloromethyl)-6-[(E)-3-[4-[(E)-3-[(8S)-8-(chloromethyl)-1-methoxycarbonyl-4-oxidanyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxidanylidene-prop-1-enyl]-2,5-dimethoxy-phenyl]prop-2-enoyl]-4-oxidanyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Openeye Name: methyl (8S)-8-(chloromethyl)-6-[(E)-3-[4-[(E)-3-[(8S)-8-(chloromethyl)-4-hydroxy-1-methoxycarbonyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxo-prop-1-enyl]-2,5-dimethoxy-phenyl]prop-2-enoyl]-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate CAS Name: (8S)-8-(chloromethyl)-6-[(E)-3-[4-[(E)-3-[(8S)-8-(chloromethyl)-4-hydroxy-1-methoxycarbonyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-2,5-dimethoxyphenyl]-1-oxoprop-2-enyl]-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid methyl ester IUPAC Name: methyl (8S)-8-(chloromethyl)-6-[(E)-3-[4-[(E)-3-[(8S)-8-(chloromethyl)-4-hydroxy-1-methoxycarbonyl-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-2,5-dimethoxyphenyl]prop-2-enoyl]-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Traditional Name: (8S)-6-[(E)-3-[4-[(E)-3-[(8S)-1-carbomethoxy-8-(chloromethyl)-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrol[3,2-e]indol-6-yl]-3-keto-prop-1-enyl]-2,5-dimethoxy-phenyl]acryloyl]-8-(chloromethyl)-4-hydroxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylic acid methyl ester Formula: C42H34Cl2F6N4O10 MolecularWeight: 939.636579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)N2CC(C3=C4C(=C(NC4=C(C=C32)O)C(F)(F)F)C(=O)OC)CCl)OC)C=CC(=O)N5CC(C6=C7C(=C(NC7=C(C=C65)O)C(F)(F)F)C(=O)OC)CCl

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)N2C[C@H](C3=C4C(=C(NC4=C(C=C32)O)C(F)(F)F)C(=O)OC)CCl)OC)/C=C/C(=O)N5C[C@H](C6=C7C(=C(NC7=C(C=C65)O)C(F)(F)F)C(=O)OC)CCl

InChI

InChI=1S/C42H34Cl2F6N4O10/c1-61-25-9-18(6-8-28(58)54-16-20(14-44)30-22(54)12-24(56)36-32(30)34(40(60)64-4)38(52-36)42(48,49)50)26(62-2)10-17(25)5-7-27(57)53-15-19(13-43)29-21(53)11-23(55)35-31(29)33(39(59)63-3)37(51-35)41(45,46)47/h5-12,19-20,51-52,55-56H,13-16H2,1-4H3/b7-5+,8-6+/t19-,20-/m1/s1