4-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-3-piperidin-4-yl-benzoic acid

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-3-piperidin-4-yl-benzoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-3-(4-piperidyl)benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-3-(4-piperidinyl)benzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethyl]-2-methoxy-3-piperidin-4-ylbenzoic acid Traditional Name: 4-homopiperonyl-2-methoxy-3-(4-piperidyl)benzoic acid Formula: C22H25NO5 MolecularWeight: 383.4376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C2CCNCC2)CCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1C2CCNCC2)CCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C22H25NO5/c1-26-21-17(22(24)25)6-5-15(20(21)16-8-10-23-11-9-16)4-2-14-3-7-18-19(12-14)28-13-27-18/h3,5-7,12,16,23H,2,4,8-11,13H2,1H3,(H,24,25)