1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(2,5-dimethoxyphenyl)methyl]proline Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O

InChI

InChI=1S/C27H29NO5/c1-31-21-13-14-25(32-2)23(17-21)26(28-15-7-12-24(28)27(29)30)20-10-6-11-22(16-20)33-18-19-8-4-3-5-9-19/h3-6,8-11,13-14,16-17,24,26H,7,12,15,18H2,1-2H3,(H,29,30)