1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,6-dimethoxyphenyl)methyl]proline Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O

InChI

InChI=1S/C21H23NO6/c1-25-16-6-3-7-17(26-2)19(16)20(22-10-4-5-14(22)21(23)24)13-8-9-15-18(11-13)28-12-27-15/h3,6-9,11,14,20H,4-5,10,12H2,1-2H3,(H,23,24)