methyl (2S,3R,5R)-2-cyano-5-methyl-3-(phenylcarbonyloxy)pyrrolidine-1-carboxylate

Systemtic Name: methyl (2S,3R,5R)-2-cyano-5-methyl-3-(phenylcarbonyloxy)pyrrolidine-1-carboxylate Openeye Name: methyl (2S,3R,5R)-3-benzoyloxy-2-cyano-5-methyl-pyrrolidine-1-carboxylate CAS Name: (2S,3R,5R)-3-benzoyloxy-2-cyano-5-methyl-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3R,5R)-3-benzoyloxy-2-cyano-5-methylpyrrolidine-1-carboxylate Traditional Name: (2S,3R,5R)-3-benzoyloxy-2-cyano-5-methyl-pyrrolidine-1-carboxylic acid methyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(N1C(=O)OC)C#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1C[C@H]([C@@H](N1C(=O)OC)C#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H16N2O4/c1-10-8-13(12(9-16)17(10)15(19)20-2)21-14(18)11-6-4-3-5-7-11/h3-7,10,12-13H,8H2,1-2H3/t10-,12+,13-/m1/s1