methyl (2R,4R,5R)-5-(3-chlorophenyl)-4-cyano-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4R,5R)-5-(3-chlorophenyl)-4-cyano-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4R,5R)-5-(3-chlorophenyl)-4-cyano-pyrrolidine-2-carboxylate CAS Name: (2R,4R,5R)-5-(3-chlorophenyl)-4-cyano-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4R,5R)-5-(3-chlorophenyl)-4-cyanopyrrolidine-2-carboxylate Traditional Name: (2R,4R,5R)-5-(3-chlorophenyl)-4-cyano-pyrrolidine-2-carboxylic acid methyl ester Formula: C13H13ClN2O2 MolecularWeight: 264.70752

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C(N1)C2=CC(=CC=C2)Cl)C#N

Isomeric SMILES

COC(=O)[C@H]1C[C@H]([C@@H](N1)C2=CC(=CC=C2)Cl)C#N

InChI

InChI=1S/C13H13ClN2O2/c1-18-13(17)11-6-9(7-15)12(16-11)8-3-2-4-10(14)5-8/h2-5,9,11-12,16H,6H2,1H3/t9-,11+,12-/m0/s1