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

Systemtic Name: tert-butyl [2-[[2-butyl-6-[ethoxycarbonyl-(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[6-[benzyl(ethoxycarbonyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[ethoxycarbonyl-(phenylmethyl)amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-[benzyl(ethoxycarbonyl)amino]-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[6-[benzyl(carbethoxy)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C39H43N3O5 MolecularWeight: 633.77582

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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)OCC

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)OCC

InChI

InChI=1S/C39H43N3O5/c1-6-8-22-35-40-33-24-23-31(41(37(43)45-7-2)26-28-16-11-9-12-17-28)25-34(33)42(35)27-30-20-15-21-32(29-18-13-10-14-19-29)36(30)46-38(44)47-39(3,4)5/h9-21,23-25H,6-8,22,26-27H2,1-5H3