tert-butyl [2-[4-[[2-butyl-6-(5-oxidanylidenepentanoylimino)benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate

Systemtic Name: tert-butyl [2-[4-[[2-butyl-6-(5-oxidanylidenepentanoylimino)benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate Openeye Name: tert-butyl [2-[4-[[2-butyl-6-(5-oxopentanoylimino)benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[4-[[2-butyl-6-(1,5-dioxopentylimino)-1-benzimidazol-1-iumyl]methyl]phenyl]phenyl] ester IUPAC Name: tert-butyl [2-[4-[[2-butyl-6-(5-oxopentanoylimino)benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[4-[[2-butyl-6-(5-ketopentanoylimino)benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] ester Formula: C34H38N3O5+ MolecularWeight: 568.68262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C2=CC(=NC(=O)CCCC=O)C=CC2=N1)CC3=CC=C(C=C3)C4=CC=CC=C4OC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=[N+](C2=CC(=NC(=O)CCCC=O)C=CC2=N1)CC3=CC=C(C=C3)C4=CC=CC=C4OC(=O)OC(C)(C)C

InChI

InChI=1S/C34H38N3O5/c1-5-6-13-31-36-28-20-19-26(35-32(39)14-9-10-21-38)22-29(28)37(31)23-24-15-17-25(18-16-24)27-11-7-8-12-30(27)41-33(40)42-34(2,3)4/h7-8,11-12,15-22H,5-6,9-10,13-14,23H2,1-4H3/q+1