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

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methoxy-3-piperidin-4-yl-benzoic acid Openeye Name: 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methoxy-3-(4-piperidyl)benzoic acid CAS Name: 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methoxy-3-(4-piperidinyl)benzoic acid IUPAC Name: 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methoxy-3-piperidin-4-ylbenzoic acid Traditional Name: 4-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methoxy-3-(4-piperidyl)benzoic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1C2CCNCC2)CCOC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1C2CCNCC2)CCOC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C22H25NO6/c1-26-21-17(22(24)25)4-2-14(20(21)15-6-9-23-10-7-15)8-11-27-16-3-5-18-19(12-16)29-13-28-18/h2-5,12,15,23H,6-11,13H2,1H3,(H,24,25)