methyl 2-[(2S,6S)-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-6-pentyl-piperidin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S,6S)-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-6-pentyl-piperidin-2-yl]ethanoate Openeye Name: methyl 2-[(2S,6S)-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-6-pentyl-2-piperidyl]acetate CAS Name: 2-[(2S,6S)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-pentyl-2-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S,6S)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-pentylpiperidin-2-yl]acetate Traditional Name: 2-[(2S,6S)-6-amyl-1-[(1R)-2-hydroxy-1-phenyl-ethyl]-2-piperidyl]acetic acid methyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCCC(N1C(CO)C2=CC=CC=C2)CC(=O)OC

Isomeric SMILES

CCCCC[C@H]1CCC[C@H](N1[C@@H](CO)C2=CC=CC=C2)CC(=O)OC

InChI

InChI=1S/C21H33NO3/c1-3-4-6-12-18-13-9-14-19(15-21(24)25-2)22(18)20(16-23)17-10-7-5-8-11-17/h5,7-8,10-11,18-20,23H,3-4,6,9,12-16H2,1-2H3/t18-,19-,20-/m0/s1