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

Systemtic Name: 1-[(3,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C(=O)O

Isomeric SMILES

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

InChI

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