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

Systemtic Name: tert-butyl 2-[4-[[2-butyl-6-[(4-phenylphenyl)carbonylamino]benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-butyl-6-[(4-phenylbenzoyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-butyl-6-[[oxo-(4-phenylphenyl)methyl]amino]-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-butyl-6-[(4-phenylbenzoyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-butyl-6-[(4-phenylbenzoyl)amino]benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C42H41N3O3 MolecularWeight: 635.79324

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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)NC(=O)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)NC(=O)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C42H41N3O3/c1-5-6-16-39-44-37-26-25-34(43-40(46)33-23-21-31(22-24-33)30-12-8-7-9-13-30)27-38(37)45(39)28-29-17-19-32(20-18-29)35-14-10-11-15-36(35)41(47)48-42(2,3)4/h7-15,17-27H,5-6,16,28H2,1-4H3,(H,43,46)