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

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanone; oxalic acid CAS Name: 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 2-(4-bromophenoxy)-1-[4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-bromophenoxy)-1-[4-(3-ethoxy-4-methoxy-benzyl)piperazino]ethanone; oxalic acid Formula: C24H29BrN2O8 MolecularWeight: 553.39966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4.C2H2O4/c1-3-28-21-14-17(4-9-20(21)27-2)15-24-10-12-25(13-11-24)22(26)16-29-19-7-5-18(23)6-8-19;3-1(4)2(5)6/h4-9,14H,3,10-13,15-16H2,1-2H3;(H,3,4)(H,5,6)