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

Systemtic Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-propan-2-ylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-(1-isopropylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-methyl-3-[4-methyl-6-(1-propan-2-yl-4-imidazolyl)-2-propyl-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-propan-2-ylimidazol-4-yl)-2-propylbenzimidazol-1-yl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-(1-isopropylimidazol-4-yl)-4-methyl-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C35H40N4O3 MolecularWeight: 564.7171

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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)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)C)C

InChI

InChI=1S/C35H40N4O3/c1-9-13-31-37-32-23(4)18-26(28-20-38(21-36-28)22(2)3)19-30(32)39(31)29-17-16-27(25-14-11-10-12-15-25)33(24(29)5)41-34(40)42-35(6,7)8/h10-12,14-22H,9,13H2,1-8H3