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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3,4-dichlorophenyl)methyl]proline Formula: C25H23Cl2NO3 MolecularWeight: 456.36102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

InChI

InChI=1S/C25H23Cl2NO3/c26-21-13-10-19(15-22(21)27)24(28-14-4-7-23(28)25(29)30)18-8-11-20(12-9-18)31-16-17-5-2-1-3-6-17/h1-3,5-6,8-13,15,23-24H,4,7,14,16H2,(H,29,30)