4-[2,6-bis(bromanyl)-3,4-dimethoxy-phenyl]-2-ethyl-butanoic acid; piperazine

Systemtic Name: 4-[2,6-bis(bromanyl)-3,4-dimethoxy-phenyl]-2-ethyl-butanoic acid; piperazine Openeye Name: 4-(2,6-dibromo-3,4-dimethoxy-phenyl)-2-ethyl-butanoic acid; piperazine CAS Name: 4-(2,6-dibromo-3,4-dimethoxyphenyl)-2-ethylbutanoic acid; piperazine IUPAC Name: 4-(2,6-dibromo-3,4-dimethoxyphenyl)-2-ethylbutanoic acid; piperazine Traditional Name: 4-(2,6-dibromo-3,4-dimethoxy-phenyl)-2-ethyl-butyric acid; piperazine Formula: C18H28Br2N2O4 MolecularWeight: 496.23392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=C(C=C(C(=C1Br)OC)OC)Br)C(=O)O.C1CNCCN1

Isomeric SMILES

CCC(CCC1=C(C=C(C(=C1Br)OC)OC)Br)C(=O)O.C1CNCCN1

InChI

InChI=1S/C14H18Br2O4.C4H10N2/c1-4-8(14(17)18)5-6-9-10(15)7-11(19-2)13(20-3)12(9)16;1-2-6-4-3-5-1/h7-8H,4-6H2,1-3H3,(H,17,18);5-6H,1-4H2