tert-butyl [2-methyl-3-[4-methyl-6-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-methyl-3-[4-methyl-6-(1-methyl-4-imidazolyl)-2-propyl-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-methylimidazol-4-yl)-2-propylbenzimidazol-1-yl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-methyl-3-[4-methyl-6-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] ester Formula: C33H36N4O3 MolecularWeight: 536.66394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C5=CN(C=N5)C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)OC(C)(C)C)C)C5=CN(C=N5)C)C

InChI

InChI=1S/C33H36N4O3/c1-8-12-29-35-30-21(2)17-24(26-19-36(7)20-34-26)18-28(30)37(29)27-16-15-25(23-13-10-9-11-14-23)31(22(27)3)39-32(38)40-33(4,5)6/h9-11,13-20H,8,12H2,1-7H3