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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[(4-ethylphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-(4-ethylbenzyl)piperazino]ethanone; oxalic acid Formula: C23H27BrN2O6 MolecularWeight: 507.37428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25BrN2O2.C2H2O4/c1-2-17-3-5-18(6-4-17)15-23-11-13-24(14-12-23)21(25)16-26-20-9-7-19(22)8-10-20;3-1(4)2(5)6/h3-10H,2,11-16H2,1H3;(H,3,4)(H,5,6)