[(2R,3S)-1-[(4-methoxyphenyl)methyl]-6-oxidanylidene-2-(2-phenylethynyl)piperidin-3-yl] ethanoate

Systemtic Name: [(2R,3S)-1-[(4-methoxyphenyl)methyl]-6-oxidanylidene-2-(2-phenylethynyl)piperidin-3-yl] ethanoate Openeye Name: [(2R,3S)-1-[(4-methoxyphenyl)methyl]-6-oxo-2-(2-phenylethynyl)-3-piperidyl] acetate CAS Name: acetic acid [(2R,3S)-1-[(4-methoxyphenyl)methyl]-6-oxo-2-(2-phenylethynyl)-3-piperidinyl] ester IUPAC Name: [(2R,3S)-1-[(4-methoxyphenyl)methyl]-6-oxo-2-(2-phenylethynyl)piperidin-3-yl] acetate Traditional Name: acetic acid [(2R,3S)-6-keto-1-p-anisyl-2-(2-phenylethynyl)-3-piperidyl] ester Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(=O)N(C1C#CC2=CC=CC=C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)O[C@H]1CCC(=O)N([C@@H]1C#CC2=CC=CC=C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23NO4/c1-17(25)28-22-14-15-23(26)24(16-19-8-11-20(27-2)12-9-19)21(22)13-10-18-6-4-3-5-7-18/h3-9,11-12,21-22H,14-16H2,1-2H3/t21-,22+/m1/s1