tert-butyl [5-[[2-butyl-6-[(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonylamino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [5-[[2-butyl-6-[(5-methyl-2-propan-2-yl-cyclohexyl)oxycarbonylamino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] carbonate Openeye Name: tert-butyl [5-[[2-butyl-6-[(2-isopropyl-5-methyl-cyclohexoxy)carbonylamino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [5-[[2-butyl-6-[[(5-methyl-2-propan-2-ylcyclohexyl)oxy-oxomethyl]amino]-1-benzimidazolyl]methyl]-2-phenylphenyl] ester IUPAC Name: tert-butyl [5-[[2-butyl-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]benzimidazol-1-yl]methyl]-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [5-[[2-butyl-6-[(2-isopropyl-5-methyl-cyclohexoxy)carbonylamino]benzimidazol-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C40H51N3O5 MolecularWeight: 653.85004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C=C(C=C2)NC(=O)OC5CC(CCC5C(C)C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C=C(C=C2)NC(=O)OC5CC(CCC5C(C)C)C

InChI

InChI=1S/C40H51N3O5/c1-8-9-15-37-42-33-21-18-30(41-38(44)46-35-22-27(4)16-19-31(35)26(2)3)24-34(33)43(37)25-28-17-20-32(29-13-11-10-12-14-29)36(23-28)47-39(45)48-40(5,6)7/h10-14,17-18,20-21,23-24,26-27,31,35H,8-9,15-16,19,22,25H2,1-7H3,(H,41,44)