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

Systemtic Name: tert-butyl [2-[[2-butyl-6-[hexylcarbamoyl-(phenylmethyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: [2-[[6-[benzyl(hexylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[[(hexylamino)-oxomethyl]-(phenylmethyl)amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: [2-[[6-[benzyl(hexylcarbamoyl)amino]-2-butylbenzimidazol-1-yl]methyl]-6-phenylphenyl] tert-butyl carbonate Traditional Name: carbonic acid [2-[[6-[benzyl(hexylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]-6-phenyl-phenyl] tert-butyl ester Formula: C43H52N4O4 MolecularWeight: 688.89738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3CC4=CC=CC(=C4OC(=O)OC(C)(C)C)C5=CC=CC=C5)CCCC

Isomeric SMILES

CCCCCCNC(=O)N(CC1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3CC4=CC=CC(=C4OC(=O)OC(C)(C)C)C5=CC=CC=C5)CCCC

InChI

InChI=1S/C43H52N4O4/c1-6-8-10-17-28-44-41(48)46(30-32-19-13-11-14-20-32)35-26-27-37-38(29-35)47(39(45-37)25-9-7-2)31-34-23-18-24-36(33-21-15-12-16-22-33)40(34)50-42(49)51-43(3,4)5/h11-16,18-24,26-27,29H,6-10,17,25,28,30-31H2,1-5H3,(H,44,48)