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

Systemtic Name: tert-butyl [2-[[2-butyl-6-(phenethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-(phenethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[oxo-(phenethylamino)methyl]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-(phenethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-(phenethylcarbamoyl)benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C38H41N3O4 MolecularWeight: 603.74984

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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=C(C=C2)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C38H41N3O4/c1-5-6-20-34-40-32-22-21-29(36(42)39-24-23-27-14-9-7-10-15-27)25-33(32)41(34)26-30-18-13-19-31(28-16-11-8-12-17-28)35(30)44-37(43)45-38(2,3)4/h7-19,21-22,25H,5-6,20,23-24,26H2,1-4H3,(H,39,42)