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

Systemtic Name: tert-butyl 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[2-ethyl-6-(1-methyl-2-benzimidazolyl)-1-benzimidazolyl]methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[2-ethyl-6-(1-methylbenzimidazol-2-yl)benzimidazol-1-yl]methyl]phenyl]benzoic acid tert-butyl ester Formula: C35H34N4O2 MolecularWeight: 542.67006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)C5=NC6=CC=CC=C6N5C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC(C)(C)C)C=C(C=C2)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C35H34N4O2/c1-6-32-36-29-20-19-25(33-37-28-13-9-10-14-30(28)38(33)5)21-31(29)39(32)22-23-15-17-24(18-16-23)26-11-7-8-12-27(26)34(40)41-35(2,3)4/h7-21H,6,22H2,1-5H3