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

Systemtic Name: ethanedioic acid; 1-[[4-[(4-pentylphenoxy)methyl]phenyl]methyl]piperidine Openeye Name: oxalic acid; 1-[[4-[(4-pentylphenoxy)methyl]phenyl]methyl]piperidine CAS Name: oxalic acid; 1-[[4-[(4-pentylphenoxy)methyl]phenyl]methyl]piperidine IUPAC Name: oxalic acid; 1-[[4-[(4-pentylphenoxy)methyl]phenyl]methyl]piperidine Traditional Name: 1-[4-[(4-amylphenoxy)methyl]benzyl]piperidine; oxalic acid Formula: C26H35NO5 MolecularWeight: 441.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCC2=CC=C(C=C2)CN3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H33NO.C2H2O4/c1-2-3-5-8-21-13-15-24(16-14-21)26-20-23-11-9-22(10-12-23)19-25-17-6-4-7-18-25;3-1(4)2(5)6/h9-16H,2-8,17-20H2,1H3;(H,3,4)(H,5,6)