tert-butyl [2-[[2-butyl-6-[3-cyclohexylpropyl(methylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-[[2-butyl-6-[3-cyclohexylpropyl(methylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-[3-cyclohexylpropyl(methylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[3-cyclohexylpropyl(methylcarbamoyl)amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-[3-cyclohexylpropyl(methylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-[3-cyclohexylpropyl(methylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C40H52N4O4 MolecularWeight: 652.86528

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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(CCCC5CCCCC5)C(=O)NC

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=CC(=C3OC(=O)OC(C)(C)C)C4=CC=CC=C4)C=C(C=C2)N(CCCC5CCCCC5)C(=O)NC

InChI

InChI=1S/C40H52N4O4/c1-6-7-23-36-42-34-25-24-32(43(38(45)41-5)26-15-18-29-16-10-8-11-17-29)27-35(34)44(36)28-31-21-14-22-33(30-19-12-9-13-20-30)37(31)47-39(46)48-40(2,3)4/h9,12-14,19-22,24-25,27,29H,6-8,10-11,15-18,23,26,28H2,1-5H3,(H,41,45)