[(1S,3R)-3-(4-cyanophenyl)-3-oxidanyl-1-trimethylsilyl-propyl] 4-cyanobenzoate

Systemtic Name: [(1S,3R)-3-(4-cyanophenyl)-3-oxidanyl-1-trimethylsilyl-propyl] 4-cyanobenzoate Openeye Name: [(1S,3R)-3-(4-cyanophenyl)-3-hydroxy-1-trimethylsilyl-propyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(1S,3R)-3-(4-cyanophenyl)-3-hydroxy-1-trimethylsilylpropyl] ester IUPAC Name: [(1S,3R)-3-(4-cyanophenyl)-3-hydroxy-1-trimethylsilylpropyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S,3R)-3-(4-cyanophenyl)-3-hydroxy-1-trimethylsilyl-propyl] ester Formula: C21H22N2O3Si MolecularWeight: 378.49648

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](C)(C)C(CC(C1=CC=C(C=C1)C#N)O)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C[Si](C)(C)[C@@H](C[C@H](C1=CC=C(C=C1)C#N)O)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O3Si/c1-27(2,3)20(12-19(24)17-8-4-15(13-22)5-9-17)26-21(25)18-10-6-16(14-23)7-11-18/h4-11,19-20,24H,12H2,1-3H3/t19-,20+/m1/s1