(2R,4S)-1-(4-cyanophenyl)carbonyl-4-methoxy-pyrrolidine-2-carboxylate

Systemtic Name: (2R,4S)-1-(4-cyanophenyl)carbonyl-4-methoxy-pyrrolidine-2-carboxylate Openeye Name: (2R,4S)-1-(4-cyanobenzoyl)-4-methoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[(4-cyanophenyl)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylate IUPAC Name: (2R,4S)-1-(4-cyanobenzoyl)-4-methoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-cyanobenzoyl)-4-methoxy-pyrrolidine-2-carboxylate Formula: C14H13N2O4- MolecularWeight: 273.26402

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

Isomeric SMILES

CO[C@H]1C[C@@H](N(C1)C(=O)C2=CC=C(C=C2)C#N)C(=O)[O-]

InChI

InChI=1S/C14H14N2O4/c1-20-11-6-12(14(18)19)16(8-11)13(17)10-4-2-9(7-15)3-5-10/h2-5,11-12H,6,8H2,1H3,(H,18,19)/p-1/t11-,12+/m0/s1