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

Systemtic Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2,4-dichlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2,4-dichlorophenyl)methyl]proline Formula: C27H27Cl2NO5 MolecularWeight: 516.41298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27Cl2NO5/c1-33-23-13-18(14-24(34-2)26(23)35-16-17-7-4-3-5-8-17)25(20-11-10-19(28)15-21(20)29)30-12-6-9-22(30)27(31)32/h3-5,7-8,10-11,13-15,22,25H,6,9,12,16H2,1-2H3,(H,31,32)