2-(4-bromanylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(phenylmethyl)piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-(phenylmethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-bromophenoxy)ethanone; oxalic acid Traditional Name: 1-(4-benzylpiperazino)-2-(4-bromophenoxy)ethanone; oxalic acid Formula: C21H23BrN2O6 MolecularWeight: 479.32112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21BrN2O2.C2H2O4/c20-17-6-8-18(9-7-17)24-15-19(23)22-12-10-21(11-13-22)14-16-4-2-1-3-5-16;3-1(4)2(5)6/h1-9H,10-15H2;(H,3,4)(H,5,6)