ethanedioic acid; 2-(4-methoxyphenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 2-(4-methoxyphenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone Openeye Name: 1-[4-(1-ethylpropyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone; oxalic acid CAS Name: 2-(4-methoxyphenoxy)-1-(4-pentan-3-yl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 2-(4-methoxyphenoxy)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-[4-(1-ethylpropyl)piperazino]-2-(4-methoxyphenoxy)ethanone; oxalic acid Formula: C20H30N2O7 MolecularWeight: 410.4614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)COC2=CC=C(C=C2)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H28N2O3.C2H2O4/c1-4-15(5-2)19-10-12-20(13-11-19)18(21)14-23-17-8-6-16(22-3)7-9-17;3-1(4)2(5)6/h6-9,15H,4-5,10-14H2,1-3H3;(H,3,4)(H,5,6)