1-[1,3-benzodioxol-5-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(3,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[1,3-benzodioxol-5-yl-(3,4-dimethoxyphenyl)methyl]nipecotic acid Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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