2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[1-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazino]benzoic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H24N2O6/c1-14(24)20(29-15-6-7-18-19(12-15)28-13-27-18)23-10-8-22(9-11-23)17-5-3-2-4-16(17)21(25)26/h2-7,12,14,20,24H,8-11,13H2,1H3,(H,25,26)