1-[(2,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-dichlorophenyl)-(2,5-dimethoxyphenyl)methyl]proline Formula: C20H21Cl2NO4 MolecularWeight: 410.29104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO4/c1-26-13-6-8-18(27-2)15(11-13)19(14-7-5-12(21)10-16(14)22)23-9-3-4-17(23)20(24)25/h5-8,10-11,17,19H,3-4,9H2,1-2H3,(H,24,25)