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

Systemtic Name: tert-butyl 2-[4-[[4-methyl-6-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[4-methyl-6-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-methyl-6-(1-methyl-4-imidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[4-methyl-6-(1-methylimidazol-4-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-methyl-6-(1-methylimidazol-4-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H36N4O2 MolecularWeight: 520.66454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C5=CN(C=N5)C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C5=CN(C=N5)C)C

InChI

InChI=1S/C33H36N4O2/c1-7-10-30-35-31-22(2)17-25(28-20-36(6)21-34-28)18-29(31)37(30)19-23-13-15-24(16-14-23)26-11-8-9-12-27(26)32(38)39-33(3,4)5/h8-9,11-18,20-21H,7,10,19H2,1-6H3