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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC=C(C=C2)C(=O)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1COC2=CC=C(C=C2)C(=O)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO5/c23-21(24)17-2-4-18(5-3-17)25-13-15-7-9-22(10-8-15)12-16-1-6-19-20(11-16)27-14-26-19/h1-6,11,15H,7-10,12-14H2,(H,23,24)