2-(4-bromanylphenoxy)-1-(4-cyclohexylpiperazin-1-yl)ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-(4-cyclohexylpiperazin-1-yl)ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-(4-cyclohexylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-(4-cyclohexyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-(4-cyclohexylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-(4-cyclohexylpiperazino)ethanone; oxalic acid Formula: C20H27BrN2O6 MolecularWeight: 471.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H25BrN2O2.C2H2O4/c19-15-6-8-17(9-7-15)23-14-18(22)21-12-10-20(11-13-21)16-4-2-1-3-5-16;3-1(4)2(5)6/h6-9,16H,1-5,10-14H2;(H,3,4)(H,5,6)