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

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]methoxy]benzoic acid Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidyl]methoxy]benzoic acid CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-3-piperidinyl]methoxy]benzoic acid IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-3-yl]methoxy]benzoic acid Traditional Name: 4-[(1-piperonyl-3-piperidyl)methoxy]benzoic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)COC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CC2=CC3=C(C=C2)OCO3)COC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H23NO5/c23-21(24)17-4-6-18(7-5-17)25-13-16-2-1-9-22(12-16)11-15-3-8-19-20(10-15)27-14-26-19/h3-8,10,16H,1-2,9,11-14H2,(H,23,24)