ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-[4-[(2-methoxyphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-methoxyphenoxy)-1-(4-o-anisylpiperazino)ethanone; oxalic acid Formula: C23H28N2O8 MolecularWeight: 460.47702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O4.C2H2O4/c1-25-18-7-9-19(10-8-18)27-16-21(24)23-13-11-22(12-14-23)15-17-5-3-4-6-20(17)26-2;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)