[1-[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]-2-oxidanylidene-2-phenylmethoxy-ethyl]-triphenyl-phosphanium bromide

Systemtic Name: [1-[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]-2-oxidanylidene-2-phenylmethoxy-ethyl]-triphenyl-phosphanium bromide Openeye Name: [2-benzyloxy-1-(5-tert-butoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [1-[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-pyrrol-2-yl]-2-oxo-2-phenylmethoxyethyl]-triphenylphosphonium bromide IUPAC Name: [1-[3-ethyl-4-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]-2-oxo-2-phenylmethoxyethyl]-triphenylphosphanium bromide Traditional Name: [2-benzoxy-1-(5-tert-butoxycarbonyl-3-ethyl-4-methyl-1H-pyrrol-2-yl)-2-keto-ethyl]-triphenyl-phosphonium bromide Formula: C39H41BrNO4P MolecularWeight: 698.624901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C(=O)OCC2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OC(C)(C)C)C(C(=O)OCC2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C39H40NO4P.BrH/c1-6-33-28(2)34(37(41)44-39(3,4)5)40-35(33)36(38(42)43-27-29-19-11-7-12-20-29)45(30-21-13-8-14-22-30,31-23-15-9-16-24-31)32-25-17-10-18-26-32;/h7-26,36H,6,27H2,1-5H3;1H