tert-butyl (1S)-1-(bromomethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate

Systemtic Name: tert-butyl (1S)-1-(bromomethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Openeye Name: tert-butyl (1S)-5-benzyloxy-1-(bromomethyl)-1,2-dihydrobenzo[e]indole-3-carboxylate CAS Name: (1S)-1-(bromomethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S)-1-(bromomethyl)-5-phenylmethoxy-1,2-dihydrobenzo[e]indole-3-carboxylate Traditional Name: (1S)-5-benzoxy-1-(bromomethyl)-1,2-dihydrobenz[e]indole-3-carboxylic acid tert-butyl ester Formula: C25H26BrNO3 MolecularWeight: 468.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CBr

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H](C2=C1C=C(C3=CC=CC=C32)OCC4=CC=CC=C4)CBr

InChI

InChI=1S/C25H26BrNO3/c1-25(2,3)30-24(28)27-15-18(14-26)23-20-12-8-7-11-19(20)22(13-21(23)27)29-16-17-9-5-4-6-10-17/h4-13,18H,14-16H2,1-3H3/t18-/m1/s1