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

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

C1CN(CCN1CC(COC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C21H24N2O6/c24-15(13-27-16-5-6-19-20(11-16)29-14-28-19)12-22-7-9-23(10-8-22)18-4-2-1-3-17(18)21(25)26/h1-6,11,15,24H,7-10,12-14H2,(H,25,26)