ethanedioic acid; 2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(o-tolylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-(2-methylbenzyl)piperazino]-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c1-17-6-5-9-20(14-17)25-16-21(24)23-12-10-22(11-13-23)15-19-8-4-3-7-18(19)2;3-1(4)2(5)6/h3-9,14H,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)