(phenylmethyl) (2R,3S)-3-acetyloxy-2-(2-phenylethynyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,3S)-3-acetyloxy-2-(2-phenylethynyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,3S)-3-acetoxy-2-(2-phenylethynyl)pyrrolidine-1-carboxylate CAS Name: (2R,3S)-3-acetyloxy-2-(2-phenylethynyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3S)-3-acetyloxy-2-(2-phenylethynyl)pyrrolidine-1-carboxylate Traditional Name: (2R,3S)-3-acetoxy-2-(2-phenylethynyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCN(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1CCN([C@@H]1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO4/c1-17(24)27-21-14-15-23(20(21)13-12-18-8-4-2-5-9-18)22(25)26-16-19-10-6-3-7-11-19/h2-11,20-21H,14-16H2,1H3/t20-,21+/m1/s1