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

Systemtic Name: tert-butyl 2-[4-[[6-(1H-benzimidazol-2-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(1H-benzimidazol-2-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(1H-benzimidazol-2-yl)-2-butyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(1H-benzimidazol-2-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(1H-benzimidazol-2-yl)-2-butyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C36H36N4O2 MolecularWeight: 556.69664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C36H36N4O2/c1-5-6-15-33-37-31-21-20-26(34-38-29-13-9-10-14-30(29)39-34)22-32(31)40(33)23-24-16-18-25(19-17-24)27-11-7-8-12-28(27)35(41)42-36(2,3)4/h7-14,16-22H,5-6,15,23H2,1-4H3,(H,38,39)