ethanedioic acid; 3-[[4-[2-(2-phenoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

Systemtic Name: ethanedioic acid; 3-[[4-[2-(2-phenoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Openeye Name: oxalic acid; 3-[[4-[2-(2-phenoxyphenyl)ethyl]-1-piperidyl]methyl]-1H-pyridin-2-one CAS Name: oxalic acid; 3-[[4-[2-(2-phenoxyphenyl)ethyl]-1-piperidinyl]methyl]-1H-pyridin-2-one IUPAC Name: oxalic acid; 3-[[4-[2-(2-phenoxyphenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Traditional Name: oxalic acid; 3-[[4-[2-(2-phenoxyphenyl)ethyl]piperidino]methyl]-2-pyridone Formula: C27H30N2O6 MolecularWeight: 478.5369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2OC3=CC=CC=C3)CC4=CC=CNC4=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2OC3=CC=CC=C3)CC4=CC=CNC4=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O2.C2H2O4/c28-25-22(8-6-16-26-25)19-27-17-14-20(15-18-27)12-13-21-7-4-5-11-24(21)29-23-9-2-1-3-10-23;3-1(4)2(5)6/h1-11,16,20H,12-15,17-19H2,(H,26,28);(H,3,4)(H,5,6)