[(2S,4R,5S)-4-ethynyl-2,5-dimethyl-piperidin-4-yl] benzoate

Systemtic Name: [(2S,4R,5S)-4-ethynyl-2,5-dimethyl-piperidin-4-yl] benzoate Openeye Name: [(2S,4R,5S)-4-ethynyl-2,5-dimethyl-4-piperidyl] benzoate CAS Name: benzoic acid [(2S,4R,5S)-4-ethynyl-2,5-dimethyl-4-piperidinyl] ester IUPAC Name: [(2S,4R,5S)-4-ethynyl-2,5-dimethylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [(2S,4R,5S)-4-ethynyl-2,5-dimethyl-4-piperidyl] ester Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1)C)(C#C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1C[C@@]([C@H](CN1)C)(C#C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-4-16(10-13(3)17-11-12(16)2)19-15(18)14-8-6-5-7-9-14/h1,5-9,12-13,17H,10-11H2,2-3H3/t12-,13-,16+/m0/s1