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

Systemtic Name: tert-butyl 2-[4-[[6-(1-butylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[6-(1-butylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[6-(1-butyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[6-(1-butylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[6-(1-butylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C39H42N4O2 MolecularWeight: 598.77638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1C3=CC4=C(C=C3)N=C(N4CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)OC(C)(C)C)CCC

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1C3=CC4=C(C=C3)N=C(N4CC5=CC=C(C=C5)C6=CC=CC=C6C(=O)OC(C)(C)C)CCC

InChI

InChI=1S/C39H42N4O2/c1-6-8-24-42-34-17-12-11-16-32(34)41-37(42)29-22-23-33-35(25-29)43(36(40-33)13-7-2)26-27-18-20-28(21-19-27)30-14-9-10-15-31(30)38(44)45-39(3,4)5/h9-12,14-23,25H,6-8,13,24,26H2,1-5H3