1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]proline Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)SC)N3CCCC3C(=O)O

InChI

InChI=1S/C22H27NO5S/c1-26-18-12-15(13-19(27-2)21(18)28-3)20(14-7-9-16(29-4)10-8-14)23-11-5-6-17(23)22(24)25/h7-10,12-13,17,20H,5-6,11H2,1-4H3,(H,24,25)