(5S,6S)-1-[(4-methoxyphenyl)methyl]-5-oxidanyl-6-(2-phenylethynyl)piperidin-2-one

Systemtic Name: (5S,6S)-1-[(4-methoxyphenyl)methyl]-5-oxidanyl-6-(2-phenylethynyl)piperidin-2-one Openeye Name: (5S,6S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-6-(2-phenylethynyl)piperidin-2-one CAS Name: (5S,6S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-6-(2-phenylethynyl)-2-piperidinone IUPAC Name: (5S,6S)-5-hydroxy-1-[(4-methoxyphenyl)methyl]-6-(2-phenylethynyl)piperidin-2-one Traditional Name: (5S,6S)-5-hydroxy-1-p-anisyl-6-(2-phenylethynyl)-2-piperidone Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C(CCC2=O)O)C#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2[C@H]([C@H](CCC2=O)O)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-25-18-10-7-17(8-11-18)15-22-19(20(23)13-14-21(22)24)12-9-16-5-3-2-4-6-16/h2-8,10-11,19-20,23H,13-15H2,1H3/t19-,20-/m0/s1