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

Systemtic Name: ethanedioic acid; 1-[[4-[(3-methylphenoxy)methyl]phenyl]methyl]piperidine Openeye Name: 1-[[4-[(3-methylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid CAS Name: 1-[[4-[(3-methylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid IUPAC Name: 1-[[4-[(3-methylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid Traditional Name: 1-[4-[(3-methylphenoxy)methyl]benzyl]piperidine; oxalic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO.C2H2O4/c1-17-6-5-7-20(14-17)22-16-19-10-8-18(9-11-19)15-21-12-3-2-4-13-21;3-1(4)2(5)6/h5-11,14H,2-4,12-13,15-16H2,1H3;(H,3,4)(H,5,6)