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

Systemtic Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2,2-dimethylpropanoate Openeye Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidinyl]phenyl] ester IUPAC Name: [3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C24H39NO2 MolecularWeight: 373.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=O)C(C)(C)C

InChI

InChI=1S/C24H39NO2/c1-7-8-9-10-15-25-16-14-24(6,19(2)18-25)20-12-11-13-21(17-20)27-22(26)23(3,4)5/h11-13,17,19H,7-10,14-16,18H2,1-6H3/t19-,24-/m0/s1