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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-(4-p-anisylpiperazino)ethanone; oxalic acid Formula: C22H25BrN2O7 MolecularWeight: 509.3471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3.C2H2O4/c1-25-18-6-2-16(3-7-18)14-22-10-12-23(13-11-22)20(24)15-26-19-8-4-17(21)5-9-19;3-1(4)2(5)6/h2-9H,10-15H2,1H3;(H,3,4)(H,5,6)