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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2=CC3=C(C=C2)OCO3)COC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCC2=CC3=C(C=C2)OCO3)COC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H25NO5/c24-22(25)18-4-6-19(7-5-18)26-14-17-2-1-10-23(13-17)11-9-16-3-8-20-21(12-16)28-15-27-20/h3-8,12,17H,1-2,9-11,13-15H2,(H,24,25)