tert-butyl (2S,3R)-2-[(E)-2-cyanoethenyl]-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl (2S,3R)-2-[(E)-2-cyanoethenyl]-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: tert-butyl (2S,3R)-1-benzyl-2-[(E)-2-cyanovinyl]pyrrolidine-3-carboxylate CAS Name: (2S,3R)-2-[(E)-2-cyanoethenyl]-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3R)-1-benzyl-2-[(E)-2-cyanoethenyl]pyrrolidine-3-carboxylate Traditional Name: (2S,3R)-1-benzyl-2-[(E)-2-cyanovinyl]pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C19H24N2O2 MolecularWeight: 312.40606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(C1C=CC#N)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O2/c1-19(2,3)23-18(22)16-11-13-21(17(16)10-7-12-20)14-15-8-5-4-6-9-15/h4-10,16-17H,11,13-14H2,1-3H3/b10-7+/t16-,17+/m1/s1