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

Systemtic Name: tert-butyl [5-[[2-butyl-6-(3-methyl-5-oxidanylidene-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate Openeye Name: tert-butyl [5-[[2-butyl-6-(3-methyl-5-oxo-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] carbonate CAS Name: carbonic acid tert-butyl [5-[[2-butyl-6-(3-methyl-1,5-dioxopentyl)imino-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester IUPAC Name: tert-butyl [5-[[2-butyl-6-(3-methyl-5-oxopentanoyl)iminobenzimidazol-1-ium-1-yl]methyl]-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [5-[[2-butyl-6-(5-keto-3-methyl-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]-2-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=C4)OC(=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=C4)OC(=O)OC(C)(C)C

InChI

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