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

Systemtic Name: tert-butyl [2-[[2-butyl-6-[cyclohexyl(hexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-[[2-butyl-6-[cyclohexyl(hexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[[2-butyl-6-[cyclohexyl-[(hexylamino)-oxomethyl]amino]-1-benzimidazolyl]methyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-[[2-butyl-6-[cyclohexyl(hexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[[2-butyl-6-[cyclohexyl(hexylcarbamoyl)amino]benzimidazol-1-yl]methyl]-6-phenyl-phenyl] ester Formula: C42H56N4O4 MolecularWeight: 680.91844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(C1CCCCC1)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(C1CCCCC1)C2=CC3=C(C=C2)N=C(N3CC4=CC=CC(=C4OC(=O)OC(C)(C)C)C5=CC=CC=C5)CCCC

InChI

InChI=1S/C42H56N4O4/c1-6-8-10-17-28-43-40(47)46(33-22-15-12-16-23-33)34-26-27-36-37(29-34)45(38(44-36)25-9-7-2)30-32-21-18-24-35(31-19-13-11-14-20-31)39(32)49-41(48)50-42(3,4)5/h11,13-14,18-21,24,26-27,29,33H,6-10,12,15-17,22-23,25,28,30H2,1-5H3,(H,43,47)