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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(2,5-dimethoxyphenyl)methyl]pipecolinic acid Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H25NO6/c1-26-15-7-9-18(27-2)16(12-15)21(23-10-4-3-5-17(23)22(24)25)14-6-8-19-20(11-14)29-13-28-19/h6-9,11-12,17,21H,3-5,10,13H2,1-2H3,(H,24,25)