ethanedioic acid; 2-(4-methylphenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 2-(4-methylphenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-(4-isopropylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone; oxalic acid CAS Name: 2-(4-methylphenoxy)-1-(4-propan-2-yl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 2-(4-methylphenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-(4-isopropylpiperazino)-2-(4-methylphenoxy)ethanone; oxalic acid Formula: C18H26N2O6 MolecularWeight: 366.40884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O2.C2H2O4/c1-13(2)17-8-10-18(11-9-17)16(19)12-20-15-6-4-14(3)5-7-15;3-1(4)2(5)6/h4-7,13H,8-12H2,1-3H3;(H,3,4)(H,5,6)