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

Systemtic Name: ethanedioic acid; 3-[[4-[1-(2-phenethylphenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Openeye Name: oxalic acid; 3-[[4-[1-(2-phenethylphenyl)ethyl]-1-piperidyl]methyl]-1H-pyridin-2-one CAS Name: oxalic acid; 3-[[4-[1-(2-phenethylphenyl)ethyl]-1-piperidinyl]methyl]-1H-pyridin-2-one IUPAC Name: oxalic acid; 3-[[4-[1-(2-phenethylphenyl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Traditional Name: oxalic acid; 3-[[4-[1-(2-phenethylphenyl)ethyl]piperidino]methyl]-2-pyridone Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)CC2=CC=CNC2=O)C3=CC=CC=C3CCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1CCN(CC1)CC2=CC=CNC2=O)C3=CC=CC=C3CCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H32N2O.C2H2O4/c1-21(23-15-18-29(19-16-23)20-25-11-7-17-28-27(25)30)26-12-6-5-10-24(26)14-13-22-8-3-2-4-9-22;3-1(4)2(5)6/h2-12,17,21,23H,13-16,18-20H2,1H3,(H,28,30);(H,3,4)(H,5,6)