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

Systemtic Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-methyl-3-[4-methyl-6-(1-phenethyl-4-imidazolyl)-2-propyl-1-benzimidazolyl]-6-phenylphenyl] ester IUPAC Name: tert-butyl [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propylbenzimidazol-1-yl]-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-methyl-3-[4-methyl-6-(1-phenethylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]-6-phenyl-phenyl] ester Formula: C40H42N4O3 MolecularWeight: 626.78648

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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)CCC6=CC=CC=C6)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)CCC6=CC=CC=C6)C

InChI

InChI=1S/C40H42N4O3/c1-7-14-36-42-37-27(2)23-31(33-25-43(26-41-33)22-21-29-15-10-8-11-16-29)24-35(37)44(36)34-20-19-32(30-17-12-9-13-18-30)38(28(34)3)46-39(45)47-40(4,5)6/h8-13,15-20,23-26H,7,14,21-22H2,1-6H3