1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-(4-bromanylphenoxy)ethanone; ethanedioic acid

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-(4-bromanylphenoxy)ethanone; ethanedioic acid Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-2-(4-bromophenoxy)ethanone; oxalic acid CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-2-(4-bromophenoxy)ethanone; oxalic acid IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-bromophenoxy)ethanone; oxalic acid Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazino]-2-(4-bromophenoxy)ethanone; oxalic acid Formula: C22H24Br2N2O7 MolecularWeight: 588.24316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22Br2N2O3.C2H2O4/c1-26-19-7-4-17(22)12-15(19)13-23-8-10-24(11-9-23)20(25)14-27-18-5-2-16(21)3-6-18;3-1(4)2(5)6/h2-7,12H,8-11,13-14H2,1H3;(H,3,4)(H,5,6)