N-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate

Systemtic Name: N-[2-(2-methylpropoxy)-2-oxidanylidene-ethyl]-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate Openeye Name: N-(2-isobutoxy-2-oxo-ethyl)-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate CAS Name: N-[2-(2-methylpropoxy)-2-oxoethyl]-2-(triphenylphosphiniumylamino)-1-benzimidazolecarboximidate IUPAC Name: N-[2-(2-methylpropoxy)-2-oxoethyl]-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate Traditional Name: N-(2-isobutoxy-2-keto-ethyl)-2-(triphenylphosphiniumylamino)benzimidazole-1-carboximidate Formula: C32H31N4O3P MolecularWeight: 550.587301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CN=C(N1C2=CC=CC=C2N=C1N[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CC(C)COC(=O)CN=C(N1C2=CC=CC=C2N=C1N[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C32H31N4O3P/c1-24(2)23-39-30(37)22-33-32(38)36-29-21-13-12-20-28(29)34-31(36)35-40(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-21,24H,22-23H2,1-2H3,(H-,33,34,35,38)