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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenoxy-ethanone; ethanedioic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenoxy-ethanone; oxalic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-phenoxyethanone; oxalic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenoxyethanone; oxalic acid Traditional Name: oxalic acid; 2-phenoxy-1-(4-piperonylpiperazino)ethanone Formula: C22H24N2O8 MolecularWeight: 444.43456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22N2O4.C2H2O4/c23-20(14-24-17-4-2-1-3-5-17)22-10-8-21(9-11-22)13-16-6-7-18-19(12-16)26-15-25-18;3-1(4)2(5)6/h1-7,12H,8-11,13-15H2;(H,3,4)(H,5,6)