1-[(3,4-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3,4-dimethoxyphenyl)methyl]proline Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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