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

Systemtic Name: tert-butyl [2-[[2-butyl-6-[cyclohexyl(cyclohexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-[cyclohexyl(cyclohexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[cyclohexyl-[(cyclohexylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-[cyclohexyl(cyclohexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-[cyclohexyl(cyclohexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C42H54N4O4 MolecularWeight: 678.90256

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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)N(C5CCCCC5)C(=O)NC6CCCCC6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)N(C5CCCCC5)C(=O)NC6CCCCC6

InChI

InChI=1S/C42H54N4O4/c1-5-6-25-38-44-36-27-26-34(46(33-22-14-9-15-23-33)40(47)43-32-20-12-8-13-21-32)28-37(36)45(38)29-31-19-16-24-35(30-17-10-7-11-18-30)39(31)49-41(48)50-42(2,3)4/h7,10-11,16-19,24,26-28,32-33H,5-6,8-9,12-15,20-23,25,29H2,1-4H3,(H,43,47)