N-(2-butoxy-2-oxidanylidene-ethyl)-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=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/c1-2-3-23-39-30(37)24-33-32(38)36-29-22-14-13-21-28(29)34-31(36)35-40(25-15-7-4-8-16-25,26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-22H,2-3,23-24H2,1H3,(H-,33,34,35,38)