(Z)-but-2-enedioic acid; 2-[1-methyl-6-(2-oxidanyl-2-phenyl-ethyl)piperidin-2-yl]-1-phenyl-ethanone

Systemtic Name: (Z)-but-2-enedioic acid; 2-[1-methyl-6-(2-oxidanyl-2-phenyl-ethyl)piperidin-2-yl]-1-phenyl-ethanone Openeye Name: 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-2-piperidyl]-1-phenyl-ethanone; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenylethanone IUPAC Name: (Z)-but-2-enedioic acid; 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone Traditional Name: 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-2-piperidyl]-1-phenyl-ethanone; maleic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H27NO2.C4H4O4/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;5-3(6)1-2-4(7)8/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-