1-[(3,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]proline Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O)OC

InChI

InChI=1S/C21H25NO4S/c1-25-18-11-8-15(13-19(18)26-2)20(14-6-9-16(27-3)10-7-14)22-12-4-5-17(22)21(23)24/h6-11,13,17,20H,4-5,12H2,1-3H3,(H,23,24)