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

Systemtic Name: tert-butyl [3-[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[6-(3-hexyl-2-imidazo[4,5-b]pyridinyl)-2-propyl-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: tert-butyl [3-[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propylbenzimidazol-1-yl]-2-methyl-6-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[6-(3-hexylimidazo[4,5-b]pyridin-2-yl)-2-propyl-benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C40H45N5O3 MolecularWeight: 643.817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC=N2)N=C1C3=CC4=C(C=C3)N=C(N4C5=C(C(=C(C=C5)C6=CC=CC=C6)OC(=O)OC(C)(C)C)C)CCC

Isomeric SMILES

CCCCCCN1C2=C(C=CC=N2)N=C1C3=CC4=C(C=C3)N=C(N4C5=C(C(=C(C=C5)C6=CC=CC=C6)OC(=O)OC(C)(C)C)C)CCC

InChI

InChI=1S/C40H45N5O3/c1-7-9-10-14-25-44-37(43-32-19-15-24-41-38(32)44)29-20-22-31-34(26-29)45(35(42-31)16-8-2)33-23-21-30(28-17-12-11-13-18-28)36(27(33)3)47-39(46)48-40(4,5)6/h11-13,15,17-24,26H,7-10,14,16,25H2,1-6H3