2-cyanoethyl [(1R)-1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] (4,4-dimethyl-2-oxidanylidene-oxolan-3-yl) phosphate

Systemtic Name: 2-cyanoethyl [(1R)-1-(3,5-dimethoxyphenyl)-2-oxidanylidene-2-phenyl-ethyl] (4,4-dimethyl-2-oxidanylidene-oxolan-3-yl) phosphate Openeye Name: 2-cyanoethyl [(1R)-1-(3,5-dimethoxyphenyl)-2-oxo-2-phenyl-ethyl] (4,4-dimethyl-2-oxo-tetrahydrofuran-3-yl) phosphate CAS Name: phosphoric acid 2-cyanoethyl [(1R)-1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] (4,4-dimethyl-2-oxo-3-oxolanyl) ester IUPAC Name: 2-cyanoethyl [(1R)-1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] (4,4-dimethyl-2-oxooxolan-3-yl) phosphate Traditional Name: phosphoric acid 2-cyanoethyl [(1R)-1-(3,5-dimethoxyphenyl)-2-keto-2-phenyl-ethyl] (2-keto-4,4-dimethyl-tetrahydrofuran-3-yl) ester Formula: C25H28NO9P MolecularWeight: 517.464881

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=O)C1OP(=O)(OCCC#N)OC(C2=CC(=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(COC(=O)C1OP(=O)(OCCC#N)O[C@H](C2=CC(=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C25H28NO9P/c1-25(2)16-32-24(28)23(25)35-36(29,33-12-8-11-26)34-22(21(27)17-9-6-5-7-10-17)18-13-19(30-3)15-20(14-18)31-4/h5-7,9-10,13-15,22-23H,8,12,16H2,1-4H3/t22-,23?,36?/m1/s1