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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCC4C(=O)O

InChI

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