N-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate

Systemtic Name: N-(2-oxidanylidene-2-propan-2-yloxy-ethyl)-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate Openeye Name: N-(2-isopropoxy-2-oxo-ethyl)-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate CAS Name: N-(2-oxo-2-propan-2-yloxyethyl)-2-(triphenylphosphiniumylamino)-1-benzimidazolecarboximidate IUPAC Name: N-(2-oxo-2-propan-2-yloxyethyl)-2-(triphenylphosphaniumylamino)benzimidazole-1-carboximidate Traditional Name: N-(2-isopropoxy-2-keto-ethyl)-2-(triphenylphosphiniumylamino)benzimidazole-1-carboximidate Formula: C31H29N4O3P MolecularWeight: 536.560721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=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)OC(=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/C31H29N4O3P/c1-23(2)38-29(36)22-32-31(37)35-28-21-13-12-20-27(28)33-30(35)34-39(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-21,23H,22H2,1-2H3,(H-,32,33,34,37)