2-(4-bromanylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-(3-phenoxybenzyl)piperazino]ethanone; oxalic acid Formula: C27H27BrN2O7 MolecularWeight: 571.41648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H25BrN2O3.C2H2O4/c26-21-9-11-22(12-10-21)30-19-25(29)28-15-13-27(14-16-28)18-20-5-4-8-24(17-20)31-23-6-2-1-3-7-23;3-1(4)2(5)6/h1-12,17H,13-16,18-19H2;(H,3,4)(H,5,6)