1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-2-(4-methoxyphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(3-bromobenzyl)piperazino]-2-(4-methoxyphenoxy)ethanone; oxalic acid Formula: C22H25BrN2O7 MolecularWeight: 509.3471

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23BrN2O3.C2H2O4/c1-25-18-5-7-19(8-6-18)26-15-20(24)23-11-9-22(10-12-23)14-16-3-2-4-17(21)13-16;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)