tert-butyl (1S)-1-(bromomethyl)-5-(4-methylpiperazin-1-yl)carbonyloxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-1-(bromomethyl)-5-(4-methylpiperazin-1-yl)carbonyloxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-1-(bromomethyl)-5-(4-methylpiperazine-1-carbonyl)oxy-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-1-(bromomethyl)-5-[(4-methyl-1-piperazinyl)-oxomethoxy]-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-(bromomethyl)-5-(4-methylpiperazine-1-carbonyl)oxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-1-(bromomethyl)-5-(4-methylpiperazine-1-carbonyl)oxy-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C24H30BrN3O4 MolecularWeight: 504.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)OC(=O)N4CCN(CC4)C)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C1C=C(C3=CC=CC=C32)OC(=O)N4CCN(CC4)C)CBr

InChI

InChI=1S/C24H30BrN3O4/c1-24(2,3)32-23(30)28-15-16(14-25)21-18-8-6-5-7-17(18)20(13-19(21)28)31-22(29)27-11-9-26(4)10-12-27/h5-8,13,16H,9-12,14-15H2,1-4H3/t16-/m1/s1