1-[(5-chloranyl-2-methoxy-phenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]proline Formula: C26H26ClNO4 MolecularWeight: 451.94194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClNO4/c1-31-24-14-11-20(27)16-22(24)25(28-15-5-8-23(28)26(29)30)19-9-12-21(13-10-19)32-17-18-6-3-2-4-7-18/h2-4,6-7,9-14,16,23,25H,5,8,15,17H2,1H3,(H,29,30)