tert-butyl [5-[[2-butyl-6-(3-ethyl-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-ethyl-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-ethyl-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-ethyl-3-methyl-1,5-dioxopentyl)imino-1-benzimidazol-1-iumyl]methyl]-2-phenylphenyl] ester IUPAC Name: tert-butyl [5-[[2-butyl-6-(3-ethyl-3-methyl-5-oxopentanoyl)iminobenzimidazol-1-ium-1-yl]methyl]-2-phenylphenyl] carbonate Traditional Name: carbonic acid tert-butyl [5-[[2-butyl-6-(3-ethyl-5-keto-3-methyl-pentanoyl)imino-benzimidazol-1-ium-1-yl]methyl]-2-phenyl-phenyl] ester Formula: C37H44N3O5+ MolecularWeight: 610.76236

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H44N3O5/c1-7-9-15-33-39-30-19-17-28(38-34(42)24-37(6,8-2)20-21-41)23-31(30)40(33)25-26-16-18-29(27-13-11-10-12-14-27)32(22-26)44-35(43)45-36(3,4)5/h10-14,16-19,21-23H,7-9,15,20,24-25H2,1-6H3/q+1