ethanedioic acid; 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone

Systemtic Name: ethanedioic acid; 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(4-ethylphenyl)methyl]-1-piperazinyl]-2-(4-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(4-ethylbenzyl)piperazino]-2-(4-methylphenoxy)ethanone; oxalic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O2.C2H2O4/c1-3-19-6-8-20(9-7-19)16-23-12-14-24(15-13-23)22(25)17-26-21-10-4-18(2)5-11-21;3-1(4)2(5)6/h4-11H,3,12-17H2,1-2H3;(H,3,4)(H,5,6)