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

Systemtic Name: ethanedioic acid; 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(4-phenylphenoxy)ethanone Openeye Name: 1-[4-(o-tolylmethyl)piperazin-1-yl]-2-(4-phenylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-(4-phenylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(4-phenylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(2-methylbenzyl)piperazino]-2-(4-phenylphenoxy)ethanone; oxalic acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28N2O2.C2H2O4/c1-21-7-5-6-10-24(21)19-27-15-17-28(18-16-27)26(29)20-30-25-13-11-23(12-14-25)22-8-3-2-4-9-22;3-1(4)2(5)6/h2-14H,15-20H2,1H3;(H,3,4)(H,5,6)