(phenylmethyl) (2S,3R)-2-cyano-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3R)-2-cyano-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,3R)-3-(benzyloxycarbonylamino)-2-cyano-pyrrolidine-1-carboxylate CAS Name: (2S,3R)-2-cyano-3-(phenylmethoxycarbonylamino)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3R)-2-cyano-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate Traditional Name: (2S,3R)-3-(benzyloxycarbonylamino)-2-cyano-pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1NC(=O)OCC2=CC=CC=C2)C#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H]([C@@H]1NC(=O)OCC2=CC=CC=C2)C#N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c22-13-19-18(23-20(25)27-14-16-7-3-1-4-8-16)11-12-24(19)21(26)28-15-17-9-5-2-6-10-17/h1-10,18-19H,11-12,14-15H2,(H,23,25)/t18-,19-/m1/s1