(2R,4S)-1-(3-cyanophenyl)carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: (2R,4S)-1-(3-cyanophenyl)carbonyl-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2R,4S)-1-(3-cyanobenzoyl)-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: (2R,4S)-1-[(3-cyanophenyl)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2R,4S)-1-(3-cyanobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: (2R,4S)-1-(3-cyanobenzoyl)-4-methoxy-proline Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

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

InChI

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