tert-butyl [5-[[2-butyl-6-(cyclohexylcarbamoyl)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [5-[[2-butyl-6-(cyclohexylcarbamoyl)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] carbonate Openeye Name: tert-butyl [5-[[2-butyl-6-(cyclohexylcarbamoyl)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [5-[[2-butyl-6-[(cyclohexylamino)-oxomethyl]-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: tert-butyl [5-[[2-butyl-6-(cyclohexylcarbamoyl)benzimidazol-1-yl]methyl]-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [5-[[2-butyl-6-(cyclohexylcarbamoyl)benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C36H43N3O4 MolecularWeight: 581.74432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C=C(C=C2)C(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C=C(C=C2)C(=O)NC5CCCCC5

InChI

InChI=1S/C36H43N3O4/c1-5-6-17-33-38-30-21-19-27(34(40)37-28-15-11-8-12-16-28)23-31(30)39(33)24-25-18-20-29(26-13-9-7-10-14-26)32(22-25)42-35(41)43-36(2,3)4/h7,9-10,13-14,18-23,28H,5-6,8,11-12,15-17,24H2,1-4H3,(H,37,40)