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

Systemtic Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,4-dimethoxyphenyl)-(3-phenoxyphenyl)methyl]proline Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)N4CCCC4C(=O)O)OC

InChI

InChI=1S/C26H27NO5/c1-30-20-13-14-22(24(17-20)31-2)25(27-15-7-12-23(27)26(28)29)18-8-6-11-21(16-18)32-19-9-4-3-5-10-19/h3-6,8-11,13-14,16-17,23,25H,7,12,15H2,1-2H3,(H,28,29)