(8S)-8-(chloromethyl)-4-(4-methylpiperazin-1-yl)carbonyloxy-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate

Systemtic Name: (8S)-8-(chloromethyl)-4-(4-methylpiperazin-1-yl)carbonyloxy-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Openeye Name: (8S)-6-tert-butoxycarbonyl-8-(chloromethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate CAS Name: (8S)-8-(chloromethyl)-4-[(4-methyl-1-piperazinyl)-oxomethoxy]-6-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate IUPAC Name: (8S)-8-(chloromethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-6-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-1-carboxylate Traditional Name: (8S)-6-tert-butoxycarbonyl-8-(chloromethyl)-4-(4-methylpiperazine-1-carbonyl)oxy-2-(trifluoromethyl)-7,8-dihydro-3H-pyrrol[3,2-e]indole-1-carboxylate Formula: C24H27ClF3N4O6- MolecularWeight: 559.94259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C3C(=C(NC3=C(C=C21)OC(=O)N4CCN(CC4)C)C(F)(F)F)C(=O)[O-])CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C3C(=C(NC3=C(C=C21)OC(=O)N4CCN(CC4)C)C(F)(F)F)C(=O)[O-])CCl

InChI

InChI=1S/C24H28ClF3N4O6/c1-23(2,3)38-22(36)32-11-12(10-25)15-13(32)9-14(37-21(35)31-7-5-30(4)6-8-31)18-16(15)17(20(33)34)19(29-18)24(26,27)28/h9,12,29H,5-8,10-11H2,1-4H3,(H,33,34)/p-1/t12-/m1/s1