1-[3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl]-4-ethyl-piperazine; ethanedioic acid

Systemtic Name: 1-[3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl]-4-ethyl-piperazine; ethanedioic acid Openeye Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propyl]-4-ethyl-piperazine; oxalic acid CAS Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propyl]-4-ethylpiperazine; oxalic acid IUPAC Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propyl]-4-ethylpiperazine; oxalic acid Traditional Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propyl]-4-ethyl-piperazine; oxalic acid Formula: C20H31BrN2O5 MolecularWeight: 459.37454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)Br)C(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CCCOC2=C(C=C(C=C2)Br)C(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29BrN2O.C2H2O4/c1-4-20-9-11-21(12-10-20)8-5-13-22-18-7-6-16(19)14-17(18)15(2)3;3-1(4)2(5)6/h6-7,14-15H,4-5,8-13H2,1-3H3;(H,3,4)(H,5,6)