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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-phenylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-phenylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(4-phenylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-phenylphenoxy)ethanone; oxalic acid Traditional Name: oxalic acid; 2-(4-phenylphenoxy)-1-(4-piperonylpiperazino)ethanone Formula: C28H28N2O8 MolecularWeight: 520.53052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H26N2O4.C2H2O4/c29-26(18-30-23-9-7-22(8-10-23)21-4-2-1-3-5-21)28-14-12-27(13-15-28)17-20-6-11-24-25(16-20)32-19-31-24;3-1(4)2(5)6/h1-11,16H,12-15,17-19H2;(H,3,4)(H,5,6)