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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 2-(3-methylphenoxy)-1-(4-piperonylpiperazino)ethanone; oxalic acid Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O4.C2H2O4/c1-16-3-2-4-18(11-16)25-14-21(24)23-9-7-22(8-10-23)13-17-5-6-19-20(12-17)27-15-26-19;3-1(4)2(5)6/h2-6,11-12H,7-10,13-15H2,1H3;(H,3,4)(H,5,6)