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

Systemtic Name: 1-[(3-bromophenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-bromophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-bromophenyl)methyl]proline Formula: C26H26BrNO4 MolecularWeight: 496.39294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC(=CC=C2)Br)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26BrNO4/c1-31-24-16-20(12-13-23(24)32-17-18-7-3-2-4-8-18)25(19-9-5-10-21(27)15-19)28-14-6-11-22(28)26(29)30/h2-5,7-10,12-13,15-16,22,25H,6,11,14,17H2,1H3,(H,29,30)