ethanedioic acid; 1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-benzyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid CAS Name: oxalic acid; 1-(phenylmethyl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-benzyl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-benzyl-4-(2,4,5-trimethoxybenzyl)piperazine; oxalic acid Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=CC=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCN(CC2)CC3=CC=CC=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O3.C2H2O4/c1-24-19-14-21(26-3)20(25-2)13-18(19)16-23-11-9-22(10-12-23)15-17-7-5-4-6-8-17;3-1(4)2(5)6/h4-8,13-14H,9-12,15-16H2,1-3H3;(H,3,4)(H,5,6)