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

Systemtic Name: ethanedioic acid; 2-(3-methylphenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(3-methylphenoxy)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-(3-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)CN2CCN(CC2)C(=O)COC3=CC=CC(=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)COC3=CC=CC(=C3)C.C(=O)(C(=O)O)O

InChI

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