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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1,3-benzodioxol-5-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl(1,3-benzodioxol-5-yl)methyl]nipecotic acid Formula: C23H27NO7 MolecularWeight: 429.46298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC3=C(C=C2)OCO3)N4CCCC(C4)C(=O)O)OC)OC

InChI

InChI=1S/C23H27NO7/c1-27-18-11-20(29-3)19(28-2)10-16(18)22(24-8-4-5-15(12-24)23(25)26)14-6-7-17-21(9-14)31-13-30-17/h6-7,9-11,15,22H,4-5,8,12-13H2,1-3H3,(H,25,26)