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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-pyridin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-pyridyl)methyl]proline Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O4/c1-2-31-24-16-20(12-13-23(24)32-18-19-8-4-3-5-9-19)25(21-10-6-14-27-17-21)28-15-7-11-22(28)26(29)30/h3-6,8-10,12-14,16-17,22,25H,2,7,11,15,18H2,1H3,(H,29,30)