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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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