tert-butyl 2-[(3R,5S)-5-ethyl-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]piperidin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R,5S)-5-ethyl-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]piperidin-3-yl]ethanoate Openeye Name: tert-butyl 2-[(3R,5S)-5-ethyl-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-piperidyl]acetate CAS Name: 2-[(3R,5S)-5-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-3-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,5S)-5-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-3-yl]acetate Traditional Name: 2-[(3R,5S)-5-ethyl-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-3-piperidyl]acetic acid tert-butyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(CN(C1)C(CO)C2=CC=CC=C2)CC(=O)OC(C)(C)C

Isomeric SMILES

CC[C@H]1C[C@@H](CN(C1)[C@@H](CO)C2=CC=CC=C2)CC(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO3/c1-5-16-11-17(12-20(24)25-21(2,3)4)14-22(13-16)19(15-23)18-9-7-6-8-10-18/h6-10,16-17,19,23H,5,11-15H2,1-4H3/t16-,17+,19-/m0/s1