1-[[4-[(4-bromanylphenoxy)methyl]phenyl]methyl]piperidine; ethanedioic acid

Systemtic Name: 1-[[4-[(4-bromanylphenoxy)methyl]phenyl]methyl]piperidine; ethanedioic acid Openeye Name: 1-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]piperidine; oxalic acid CAS Name: 1-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]piperidine; oxalic acid IUPAC Name: 1-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]piperidine; oxalic acid Traditional Name: 1-[4-[(4-bromophenoxy)methyl]benzyl]piperidine; oxalic acid Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22BrNO.C2H2O4/c20-18-8-10-19(11-9-18)22-15-17-6-4-16(5-7-17)14-21-12-2-1-3-13-21;3-1(4)2(5)6/h4-11H,1-3,12-15H2;(H,3,4)(H,5,6)