(2S,4R)-1-[(4-cyanophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,4R)-1-[(4-cyanophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic acid Openeye Name: (2S,4R)-1-[(4-cyanophenyl)carbamoyl]-4-methoxy-pyrrolidine-2-carboxylic acid CAS Name: (2S,4R)-1-[(4-cyanoanilino)-oxomethyl]-4-methoxy-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,4R)-1-[(4-cyanophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid Traditional Name: (2S,4R)-1-[(4-cyanophenyl)carbamoyl]-4-methoxy-proline Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC(N(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CO[C@@H]1C[C@H](N(C1)C(=O)NC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-21-11-6-12(13(18)19)17(8-11)14(20)16-10-4-2-9(7-15)3-5-10/h2-5,11-12H,6,8H2,1H3,(H,16,20)(H,18,19)/t11-,12+/m1/s1