1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,4-dichlorophenyl)methyl]proline Formula: C27H27Cl2NO4 MolecularWeight: 500.41358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)Cl)Cl)N3CCCC3C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27Cl2NO4/c1-2-33-25-16-20(11-13-24(25)34-17-18-7-4-3-5-8-18)26(19-10-12-21(28)22(29)15-19)30-14-6-9-23(30)27(31)32/h3-5,7-8,10-13,15-16,23,26H,2,6,9,14,17H2,1H3,(H,31,32)