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

Systemtic Name: tert-butyl [2-[[2-butyl-6-[cyclohexylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[6-[benzyl(cyclohexylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[[(cyclohexylamino)-oxomethyl]-(phenylmethyl)amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-[benzyl(cyclohexylcarbamoyl)amino]-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[6-[benzyl(cyclohexylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C43H50N4O4 MolecularWeight: 686.8815

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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(CC5=CC=CC=C5)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(CC5=CC=CC=C5)C(=O)NC6CCCCC6

InChI

InChI=1S/C43H50N4O4/c1-5-6-25-39-45-37-27-26-35(46(29-31-17-10-7-11-18-31)41(48)44-34-22-14-9-15-23-34)28-38(37)47(39)30-33-21-16-24-36(32-19-12-8-13-20-32)40(33)50-42(49)51-43(2,3)4/h7-8,10-13,16-21,24,26-28,34H,5-6,9,14-15,22-23,25,29-30H2,1-4H3,(H,44,48)