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

Systemtic Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(2-bromophenyl)methyl]-1-piperazinyl]-2-(3-methylphenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(2-bromobenzyl)piperazino]-2-(3-methylphenoxy)ethanone; oxalic acid Formula: C22H25BrN2O6 MolecularWeight: 493.3477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23BrN2O2.C2H2O4/c1-16-5-4-7-18(13-16)25-15-20(24)23-11-9-22(10-12-23)14-17-6-2-3-8-19(17)21;3-1(4)2(5)6/h2-8,13H,9-12,14-15H2,1H3;(H,3,4)(H,5,6)