1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxyphenyl)methyl]proline Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C26H25NO5/c28-26(29)22-7-4-14-27(22)25(20-10-13-23-24(15-20)32-17-31-23)19-8-11-21(12-9-19)30-16-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,22,25H,4,7,14,16-17H2,(H,28,29)