1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(p-tolyl)methyl]proline Formula: C28H31NO5 MolecularWeight: 461.54944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCC4C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC)N4CCCC4C(=O)O

InChI

InChI=1S/C28H31NO5/c1-19-11-13-21(14-12-19)26(29-15-7-10-23(29)28(30)31)22-16-24(32-2)27(25(17-22)33-3)34-18-20-8-5-4-6-9-20/h4-6,8-9,11-14,16-17,23,26H,7,10,15,18H2,1-3H3,(H,30,31)