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

Systemtic Name: 1-[(3-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-bromophenyl)methyl]proline Formula: C27H28BrNO5 MolecularWeight: 526.41892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC(=CC=C3)Br)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC(=CC=C3)Br)N4CCCC4C(=O)O

InChI

InChI=1S/C27H28BrNO5/c1-32-23-15-20(16-24(33-2)26(23)34-17-18-8-4-3-5-9-18)25(19-10-6-11-21(28)14-19)29-13-7-12-22(29)27(30)31/h3-6,8-11,14-16,22,25H,7,12-13,17H2,1-2H3,(H,30,31)