ethanedioic acid; 2-(4-methylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(4-methylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone; oxalic acid CAS Name: 2-(4-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-(4-benzylpiperazino)-2-(4-methylphenoxy)ethanone; oxalic acid Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2.C2H2O4/c1-17-7-9-19(10-8-17)24-16-20(23)22-13-11-21(12-14-22)15-18-5-3-2-4-6-18;3-1(4)2(5)6/h2-10H,11-16H2,1H3;(H,3,4)(H,5,6)