tert-butyl [3-[[2-butyl-7-[2-(1-methoxy-2-oxidanylidene-ethyl)phenyl]carbonylimino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate

Systemtic Name: tert-butyl [3-[[2-butyl-7-[2-(1-methoxy-2-oxidanylidene-ethyl)phenyl]carbonylimino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate Openeye Name: tert-butyl [3-[[2-butyl-7-[2-(1-methoxy-2-oxo-ethyl)benzoyl]imino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [3-[[2-butyl-7-[[2-(1-methoxy-2-oxoethyl)phenyl]-oxomethyl]imino-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester IUPAC Name: tert-butyl [3-[[2-butyl-7-[2-(1-methoxy-2-oxoethyl)benzoyl]iminobenzimidazol-1-ium-1-yl]methyl]-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [3-[[2-butyl-7-[2-(2-keto-1-methoxy-ethyl)benzoyl]imino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C39H40N3O6+ MolecularWeight: 646.7514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=NC(=O)C3=CC=CC=C3C(C=O)OC)C2=[N+]1CC4=C(C(=CC=C4)OC(=O)OC(C)(C)C)C5=CC=CC=C5

Isomeric SMILES

CCCCC1=NC2=CC=CC(=NC(=O)C3=CC=CC=C3C(C=O)OC)C2=[N+]1CC4=C(C(=CC=C4)OC(=O)OC(C)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C39H40N3O6/c1-6-7-23-34-40-30-20-14-21-31(41-37(44)29-19-12-11-18-28(29)33(25-43)46-5)36(30)42(34)24-27-17-13-22-32(47-38(45)48-39(2,3)4)35(27)26-15-9-8-10-16-26/h8-22,25,33H,6-7,23-24H2,1-5H3/q+1