1-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-4-ethyl-piperazine; ethanedioic acid

Systemtic Name: 1-[4-(2-bromanyl-4,6-dimethyl-phenoxy)butyl]-4-ethyl-piperazine; ethanedioic acid Openeye Name: 1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-4-ethyl-piperazine; oxalic acid CAS Name: 1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-4-ethylpiperazine; oxalic acid IUPAC Name: 1-[4-(2-bromo-4,6-dimethylphenoxy)butyl]-4-ethylpiperazine; oxalic acid Traditional Name: 1-[4-(2-bromo-4,6-dimethyl-phenoxy)butyl]-4-ethyl-piperazine; oxalic acid Formula: C20H31BrN2O5 MolecularWeight: 459.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2Br)C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCCOC2=C(C=C(C=C2Br)C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29BrN2O.C2H2O4/c1-4-20-8-10-21(11-9-20)7-5-6-12-22-18-16(3)13-15(2)14-17(18)19;3-1(4)2(5)6/h13-14H,4-12H2,1-3H3;(H,3,4)(H,5,6)