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

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-(m-tolylmethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-methoxyphenoxy)-1-[4-(3-methylbenzyl)piperazino]ethanone; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-17-4-3-5-18(14-17)15-22-10-12-23(13-11-22)21(24)16-26-20-8-6-19(25-2)7-9-20;3-1(4)2(5)6/h3-9,14H,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)