O1-tert-butyl O2-ethyl (2S,4R)-4-(cyanomethyl)-5-oxidanylidene-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl (2S,4R)-4-(cyanomethyl)-5-oxidanylidene-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl (2S,4R)-4-benzyl-4-(cyanomethyl)-5-oxo-pyrrolidine-1,2-dicarboxylate CAS Name: (2S,4R)-4-(cyanomethyl)-5-oxo-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl (2S,4R)-4-benzyl-4-(cyanomethyl)-5-oxopyrrolidine-1,2-dicarboxylate Traditional Name: (2S,4R)-4-benzyl-4-(cyanomethyl)-5-keto-pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=O)N1C(=O)OC(C)(C)C)(CC#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@@](C(=O)N1C(=O)OC(C)(C)C)(CC#N)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5/c1-5-27-17(24)16-14-21(11-12-22,13-15-9-7-6-8-10-15)18(25)23(16)19(26)28-20(2,3)4/h6-10,16H,5,11,13-14H2,1-4H3/t16-,21+/m0/s1