tert-butyl [2-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[(2-butyl-4-nitro-1-benzimidazolyl)methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[(2-butyl-4-nitrobenzimidazol-1-yl)methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[(2-butyl-4-nitro-benzimidazol-1-yl)methyl]-6-phenyl-phenyl] ester Formula: C29H31N3O5 MolecularWeight: 501.57354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C29H31N3O5/c1-5-6-18-25-30-26-23(16-11-17-24(26)32(34)35)31(25)19-21-14-10-15-22(20-12-8-7-9-13-20)27(21)36-28(33)37-29(2,3)4/h7-17H,5-6,18-19H2,1-4H3