(2S,5R)-5-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: (2S,5R)-5-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: (2S,5R)-5-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: (2S,5R)-5-(3,4-dimethoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: (2S,5R)-5-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S,5R)-5-(3,4-dimethoxyphenyl)proline Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC(N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC[C@H](N2)C(=O)O)OC

InChI

InChI=1S/C13H17NO4/c1-17-11-6-3-8(7-12(11)18-2)9-4-5-10(14-9)13(15)16/h3,6-7,9-10,14H,4-5H2,1-2H3,(H,15,16)/t9-,10+/m1/s1