ethanedioic acid; 4-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: ethanedioic acid; 4-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[[4-[(4-ethylphenyl)methyl]-1-piperazinyl]methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[[4-[(4-ethylphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[[4-(4-ethylbenzyl)piperazino]methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H30N2O3.C2H2O4/c1-4-17-5-7-18(8-6-17)15-23-9-11-24(12-10-23)16-19-13-20(26-2)22(25)21(14-19)27-3;3-1(4)2(5)6/h5-8,13-14,25H,4,9-12,15-16H2,1-3H3;(H,3,4)(H,5,6)