ethanedioic acid; 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenol

Systemtic Name: ethanedioic acid; 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methoxy-phenol; oxalic acid CAS Name: 2-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]methyl]-4-methoxyphenol; oxalic acid IUPAC Name: 2-[[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol; oxalic acid Traditional Name: 2-[[4-(4-ethoxybenzyl)piperazino]methyl]-4-methoxy-phenol; oxalic acid Formula: C23H30N2O7 MolecularWeight: 446.4935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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