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

Systemtic Name: ethanedioic acid; 3-[[4-[2-(2-pyridin-3-ylphenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Openeye Name: oxalic acid; 3-[[4-[2-[2-(3-pyridyl)phenyl]ethyl]-1-piperidyl]methyl]-1H-pyridin-2-one CAS Name: oxalic acid; 3-[[4-[2-[2-(3-pyridinyl)phenyl]ethyl]-1-piperidinyl]methyl]-1H-pyridin-2-one IUPAC Name: oxalic acid; 3-[[4-[2-(2-pyridin-3-ylphenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Traditional Name: oxalic acid; 3-[[4-[2-[2-(3-pyridyl)phenyl]ethyl]piperidino]methyl]-2-pyridone Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2C3=CN=CC=C3)CC4=CC=CNC4=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2C3=CN=CC=C3)CC4=CC=CNC4=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27N3O.C2H2O4/c28-24-22(7-4-14-26-24)18-27-15-11-19(12-16-27)9-10-20-5-1-2-8-23(20)21-6-3-13-25-17-21;3-1(4)2(5)6/h1-8,13-14,17,19H,9-12,15-16,18H2,(H,26,28);(H,3,4)(H,5,6)