2-[[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoate

Systemtic Name: 2-[[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoate Openeye Name: 2-[[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoate CAS Name: 2-[[6-(3-hexyl-2-imidazo[4,5-b]pyridinyl)-2-propyl-1-benzimidazolyl]methyl]-6-phenylbenzoate IUPAC Name: 2-[[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]methyl]-6-phenylbenzoate Traditional Name: 2-[[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propyl-benzimidazol-1-yl]methyl]-6-phenyl-benzoate Formula: C36H36N5O2- MolecularWeight: 570.70334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC=N2)N=C1C3=CC4=C(C=C3)N=C(N4CC5=CC=CC(=C5C(=O)[O-])C6=CC=CC=C6)CCC

Isomeric SMILES

CCCCCCN1C2=C(C=CC=N2)N=C1C3=CC4=C(C=C3)N=C(N4CC5=CC=CC(=C5C(=O)[O-])C6=CC=CC=C6)CCC

InChI

InChI=1S/C36H37N5O2/c1-3-5-6-10-22-40-34(39-30-18-12-21-37-35(30)40)26-19-20-29-31(23-26)41(32(38-29)13-4-2)24-27-16-11-17-28(33(27)36(42)43)25-14-8-7-9-15-25/h7-9,11-12,14-21,23H,3-6,10,13,22,24H2,1-2H3,(H,42,43)/p-1