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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-naphthalen-2-yloxy-ethanone; ethanedioic acid Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-naphthyloxy)ethanone; oxalic acid CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone; oxalic acid IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone; oxalic acid Traditional Name: 2-(2-naphthoxy)-1-(4-piperonylpiperazino)ethanone; oxalic acid Formula: C26H26N2O8 MolecularWeight: 494.49324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC5=CC=CC=C5C=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H24N2O4.C2H2O4/c27-24(16-28-21-7-6-19-3-1-2-4-20(19)14-21)26-11-9-25(10-12-26)15-18-5-8-22-23(13-18)30-17-29-22;3-1(4)2(5)6/h1-8,13-14H,9-12,15-17H2;(H,3,4)(H,5,6)