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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)O

InChI

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