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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,3,4-trimethoxyphenyl)methyl]proline Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-26-17-9-7-14(20(27-2)21(17)28-3)19(23-10-4-5-15(23)22(24)25)13-6-8-16-18(11-13)30-12-29-16/h6-9,11,15,19H,4-5,10,12H2,1-3H3,(H,24,25)