2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-ethanol; ethanedioic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-ethanol; ethanedioic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylethanol; oxalic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylethanol; oxalic acid Traditional Name: oxalic acid; 1-phenyl-2-(4-piperonylpiperazino)ethanol Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2O3.C2H2O4/c23-18(17-4-2-1-3-5-17)14-22-10-8-21(9-11-22)13-16-6-7-19-20(12-16)25-15-24-19;3-1(4)2(5)6/h1-7,12,18,23H,8-11,13-15H2;(H,3,4)(H,5,6)