tert-butyl (2R,3S,5S)-5-cyano-2-(hydroxymethyl)-3-(phenylcarbonyloxy)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S,5S)-5-cyano-2-(hydroxymethyl)-3-(phenylcarbonyloxy)pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2R,3S,5S)-3-benzoyloxy-5-cyano-2-(hydroxymethyl)pyrrolidine-1-carboxylate CAS Name: (2R,3S,5S)-3-benzoyloxy-5-cyano-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S,5S)-3-benzoyloxy-5-cyano-2-(hydroxymethyl)pyrrolidine-1-carboxylate Traditional Name: (2R,3S,5S)-3-benzoyloxy-5-cyano-2-methylol-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(CC(C1CO)OC(=O)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H](C[C@@H]([C@H]1CO)OC(=O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H22N2O5/c1-18(2,3)25-17(23)20-13(10-19)9-15(14(20)11-21)24-16(22)12-7-5-4-6-8-12/h4-8,13-15,21H,9,11H2,1-3H3/t13-,14+,15-/m0/s1