ethanedioic acid; 4-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: ethanedioic acid; 4-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxy-phenol; oxalic acid CAS Name: 4-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-2,6-dimethoxyphenol; oxalic acid IUPAC Name: 4-[[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol; oxalic acid Traditional Name: 4-[[4-(3-ethoxy-4-methoxy-benzyl)piperazino]methyl]-2,6-dimethoxy-phenol; oxalic acid Formula: C25H34N2O9 MolecularWeight: 506.54546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)CC3=CC(=C(C(=C3)OC)O)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H32N2O5.C2H2O4/c1-5-30-20-12-17(6-7-19(20)27-2)15-24-8-10-25(11-9-24)16-18-13-21(28-3)23(26)22(14-18)29-4;3-1(4)2(5)6/h6-7,12-14,26H,5,8-11,15-16H2,1-4H3;(H,3,4)(H,5,6)