methyl (2S,3S)-2-[(E)-2-cyanoethenyl]-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl (2S,3S)-2-[(E)-2-cyanoethenyl]-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: methyl (2S,3S)-1-benzyl-2-[(E)-2-cyanovinyl]pyrrolidine-3-carboxylate CAS Name: (2S,3S)-2-[(E)-2-cyanoethenyl]-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-1-benzyl-2-[(E)-2-cyanoethenyl]pyrrolidine-3-carboxylate Traditional Name: (2S,3S)-1-benzyl-2-[(E)-2-cyanovinyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(C1C=CC#N)CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-20-16(19)14-9-11-18(15(14)8-5-10-17)12-13-6-3-2-4-7-13/h2-8,14-15H,9,11-12H2,1H3/b8-5+/t14-,15-/m0/s1