1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-methoxyphenyl)methyl]proline Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-30-23-10-5-9-21(17-23)25(27-16-6-11-24(27)26(28)29)20-12-14-22(15-13-20)31-18-19-7-3-2-4-8-19/h2-5,7-10,12-15,17,24-25H,6,11,16,18H2,1H3,(H,28,29)