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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C22H25NO6/c1-26-16-6-8-18(27-2)17(11-16)21(23-9-3-4-15(12-23)22(24)25)14-5-7-19-20(10-14)29-13-28-19/h5-8,10-11,15,21H,3-4,9,12-13H2,1-2H3,(H,24,25)