[3-[(2S,3S)-1-hexyl-3,4-dimethyl-piperidin-2-yl]phenyl] ethanoate

Systemtic Name: [3-[(2S,3S)-1-hexyl-3,4-dimethyl-piperidin-2-yl]phenyl] ethanoate Openeye Name: [3-[(2S,3S)-1-hexyl-3,4-dimethyl-2-piperidyl]phenyl] acetate CAS Name: acetic acid [3-[(2S,3S)-1-hexyl-3,4-dimethyl-2-piperidinyl]phenyl] ester IUPAC Name: [3-[(2S,3S)-1-hexyl-3,4-dimethylpiperidin-2-yl]phenyl] acetate Traditional Name: acetic acid [3-[(2S,3S)-1-hexyl-3,4-dimethyl-2-piperidyl]phenyl] ester Formula: C21H33NO2 MolecularWeight: 331.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1C2=CC(=CC=C2)OC(=O)C)C)C

Isomeric SMILES

CCCCCCN1CCC([C@@H]([C@H]1C2=CC(=CC=C2)OC(=O)C)C)C

InChI

InChI=1S/C21H33NO2/c1-5-6-7-8-13-22-14-12-16(2)17(3)21(22)19-10-9-11-20(15-19)24-18(4)23/h9-11,15-17,21H,5-8,12-14H2,1-4H3/t16?,17-,21-/m0/s1