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

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

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)OC

Isomeric SMILES

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

InChI

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