1-[[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]methyl]piperidine; ethanedioic acid

Systemtic Name: 1-[[4-[(4-chloranyl-3-methyl-phenoxy)methyl]phenyl]methyl]piperidine; ethanedioic acid Openeye Name: 1-[[4-[(4-chloro-3-methyl-phenoxy)methyl]phenyl]methyl]piperidine; oxalic acid CAS Name: 1-[[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid IUPAC Name: 1-[[4-[(4-chloro-3-methylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid Traditional Name: 1-[4-[(4-chloro-3-methyl-phenoxy)methyl]benzyl]piperidine; oxalic acid Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)CN3CCCCC3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(C=C2)CN3CCCCC3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24ClNO.C2H2O4/c1-16-13-19(9-10-20(16)21)23-15-18-7-5-17(6-8-18)14-22-11-3-2-4-12-22;3-1(4)2(5)6/h5-10,13H,2-4,11-12,14-15H2,1H3;(H,3,4)(H,5,6)