(8S)-8-(chloromethyl)-4-(4-methylpiperazin-1-yl)carbonyloxy-2-(trifluoromethyl)-6-[[5-[(5,6,7-trimethoxy-1-benzofuran-2-yl)carbonylamino]-1H-indol-2-yl]carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid

Systemtic Name: (8S)-8-(chloromethyl)-4-(4-methylpiperazin-1-yl)carbonyloxy-2-(trifluoromethyl)-6-[[5-[(5,6,7-trimethoxy-1-benzofuran-2-yl)carbonylamino]-1H-indol-2-yl]carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid Openeye Name: (8S)-8-(chloromethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-6-[5-[(5,6,7-trimethoxybenzofuran-2-carbonyl)amino]-1H-indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid CAS Name: (8S)-8-(chloromethyl)-4-[(4-methyl-1-piperazinyl)-oxomethoxy]-6-[oxo-[5-[[oxo-(5,6,7-trimethoxy-2-benzofuranyl)methyl]amino]-1H-indol-2-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid IUPAC Name: (8S)-8-(chloromethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-6-[5-[(5,6,7-trimethoxy-1-benzofuran-2-carbonyl)amino]-1H-indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylic acid Traditional Name: (8S)-8-(chloromethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-6-[5-[(5,6,7-trimethoxybenzofuran-2-carbonyl)amino]-1H-indole-2-carbonyl]-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylic acid Formula: C40H36ClF3N6O10 MolecularWeight: 853.19625

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)OC2=C3C(=C4C(CN(C4=C2)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC(=C(C(=C8O7)OC)OC)OC)CCl)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=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC(=C(C(=C8O7)OC)OC)OC)CCl)C(=C(N3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C40H36ClF3N6O10/c1-48-7-9-49(10-8-48)39(55)60-25-15-24-28(29-30(38(53)54)35(40(42,43)44)47-31(25)29)20(16-41)17-50(24)37(52)23-12-18-11-21(5-6-22(18)46-23)45-36(51)27-14-19-13-26(56-2)33(57-3)34(58-4)32(19)59-27/h5-6,11-15,20,46-47H,7-10,16-17H2,1-4H3,(H,45,51)(H,53,54)/t20-/m1/s1