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

Systemtic Name: ethanedioic acid; 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-2-(4-methoxyphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(4-ethoxybenzyl)piperazino]-2-(4-methoxyphenoxy)ethanone; oxalic acid Formula: C24H30N2O8 MolecularWeight: 474.5036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O4.C2H2O4/c1-3-27-20-6-4-18(5-7-20)16-23-12-14-24(15-13-23)22(25)17-28-21-10-8-19(26-2)9-11-21;3-1(4)2(5)6/h4-11H,3,12-17H2,1-2H3;(H,3,4)(H,5,6)