3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one; ethanedioic acid

Systemtic Name: 3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one; ethanedioic acid Openeye Name: 3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]vinyl]-1-piperidyl]methyl]-1H-pyrazin-2-one; oxalic acid CAS Name: 3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]-1-piperidinyl]methyl]-1H-pyrazin-2-one; oxalic acid IUPAC Name: 3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]ethenyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one; oxalic acid Traditional Name: 3-[[4-[(E)-2-[2-(cyclohexylmethoxy)phenyl]vinyl]piperidino]methyl]-1H-pyrazin-2-one; oxalic acid Formula: C27H35N3O6 MolecularWeight: 497.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC=CC=C2C=CC3CCN(CC3)CC4=NC=CNC4=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)COC2=CC=CC=C2/C=C/C3CCN(CC3)CC4=NC=CNC4=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O2.C2H2O4/c29-25-23(26-14-15-27-25)18-28-16-12-20(13-17-28)10-11-22-8-4-5-9-24(22)30-19-21-6-2-1-3-7-21;3-1(4)2(5)6/h4-5,8-11,14-15,20-21H,1-3,6-7,12-13,16-19H2,(H,27,29);(H,3,4)(H,5,6)/b11-10+;