tert-butyl [2-[4-[[2-butyl-6-(3-methyl-5-oxidanylidene-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate

Systemtic Name: tert-butyl [2-[4-[[2-butyl-6-(3-methyl-5-oxidanylidene-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate Openeye Name: tert-butyl [2-[4-[[2-butyl-6-(3-methyl-5-oxo-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[4-[[2-butyl-6-(3-methyl-1,5-dioxopentyl)imino-1-benzimidazol-1-iumyl]methyl]phenyl]phenyl] ester IUPAC Name: tert-butyl [2-[4-[[2-butyl-6-(3-methyl-5-oxopentanoyl)iminobenzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[4-[[2-butyl-6-(5-keto-3-methyl-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl] ester Formula: C35H40N3O5+ MolecularWeight: 582.7092

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C35H40N3O5/c1-6-7-12-32-37-29-18-17-27(36-33(40)21-24(2)19-20-39)22-30(29)38(32)23-25-13-15-26(16-14-25)28-10-8-9-11-31(28)42-34(41)43-35(3,4)5/h8-11,13-18,20,22,24H,6-7,12,19,21,23H2,1-5H3/q+1