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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-(4-ethoxybenzyl)piperazino]ethanone; oxalic acid Formula: C23H27BrN2O7 MolecularWeight: 523.37368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25BrN2O3.C2H2O4/c1-2-26-19-7-3-17(4-8-19)15-23-11-13-24(14-12-23)21(25)16-27-20-9-5-18(22)6-10-20;3-1(4)2(5)6/h3-10H,2,11-16H2,1H3;(H,3,4)(H,5,6)