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

Systemtic Name: ethanedioic acid; 1-[[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]methyl]piperidine Openeye Name: 1-[[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid CAS Name: 1-[[4-[[4-(1-imidazolyl)phenoxy]methyl]phenyl]methyl]piperidine; oxalic acid IUPAC Name: 1-[[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]methyl]piperidine; oxalic acid Traditional Name: 1-[4-[(4-imidazol-1-ylphenoxy)methyl]benzyl]piperidine; oxalic acid Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)N4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)COC3=CC=C(C=C3)N4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25N3O.C2H2O4/c1-2-13-24(14-3-1)16-19-4-6-20(7-5-19)17-26-22-10-8-21(9-11-22)25-15-12-23-18-25;3-1(4)2(5)6/h4-12,15,18H,1-3,13-14,16-17H2;(H,3,4)(H,5,6)