1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(5-chloro-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-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(=CC=C2)OCC3=CC=CC=C3)N4CCCC4C(=O)O

Isomeric SMILES

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

InChI

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