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

Systemtic Name: 1-[(4-chlorophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-chlorophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(4-chlorophenyl)methyl]proline Formula: C27H28ClNO5 MolecularWeight: 481.96792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClNO5/c1-32-23-15-20(16-24(33-2)26(23)34-17-18-7-4-3-5-8-18)25(19-10-12-21(28)13-11-19)29-14-6-9-22(29)27(30)31/h3-5,7-8,10-13,15-16,22,25H,6,9,14,17H2,1-2H3,(H,30,31)