ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-[(3-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-(m-tolylmethyl)piperazine; oxalic acid CAS Name: 1-[(3-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-[(3-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-m-anisyl-4-(3-methylbenzyl)piperazine; oxalic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O.C2H2O4/c1-17-5-3-6-18(13-17)15-21-9-11-22(12-10-21)16-19-7-4-8-20(14-19)23-2;3-1(4)2(5)6/h3-8,13-14H,9-12,15-16H2,1-2H3;(H,3,4)(H,5,6)