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

Systemtic Name: 1-[[4-[(4-cyclopentylphenoxy)methyl]phenyl]methyl]piperidine; ethanedioic acid Openeye Name: 1-[[4-[(4-cyclopentylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid CAS Name: 1-[[4-[(4-cyclopentylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid IUPAC Name: 1-[[4-[(4-cyclopentylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid Traditional Name: 1-[4-[(4-cyclopentylphenoxy)methyl]benzyl]piperidine; oxalic acid Formula: C26H33NO5 MolecularWeight: 439.54392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)C4CCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)C4CCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H31NO.C2H2O4/c1-4-16-25(17-5-1)18-20-8-10-21(11-9-20)19-26-24-14-12-23(13-15-24)22-6-2-3-7-22;3-1(4)2(5)6/h8-15,22H,1-7,16-19H2;(H,3,4)(H,5,6)