ethanedioic acid; 2-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 2-[3-(4-benzyl-1-piperidyl)propoxy]benzonitrile; oxalic acid CAS Name: oxalic acid; 2-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]benzonitrile IUPAC Name: 2-[3-(4-benzylpiperidin-1-yl)propoxy]benzonitrile; oxalic acid Traditional Name: 2-[3-(4-benzylpiperidino)propoxy]benzonitrile; oxalic acid Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCOC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H26N2O.C2H2O4/c23-18-21-9-4-5-10-22(21)25-16-6-13-24-14-11-20(12-15-24)17-19-7-2-1-3-8-19;3-1(4)2(5)6/h1-5,7-10,20H,6,11-17H2;(H,3,4)(H,5,6)