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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C2CCCNC2)CCC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1C2CCCNC2)CCC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C22H25NO5/c1-26-21-17(22(24)25)8-7-15(20(21)16-3-2-10-23-12-16)6-4-14-5-9-18-19(11-14)28-13-27-18/h5,7-9,11,16,23H,2-4,6,10,12-13H2,1H3,(H,24,25)