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

Systemtic Name: tert-butyl [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[[(cyclohexylamino)-oxomethyl]-phenethylamino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-[cyclohexylcarbamoyl(phenethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C44H52N4O4 MolecularWeight: 700.90808

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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(CCC5=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(CCC5=CC=CC=C5)C(=O)NC6CCCCC6

InChI

InChI=1S/C44H52N4O4/c1-5-6-25-40-46-38-27-26-36(47(29-28-32-17-10-7-11-18-32)42(49)45-35-22-14-9-15-23-35)30-39(38)48(40)31-34-21-16-24-37(33-19-12-8-13-20-33)41(34)51-43(50)52-44(2,3)4/h7-8,10-13,16-21,24,26-27,30,35H,5-6,9,14-15,22-23,25,28-29,31H2,1-4H3,(H,45,49)