[3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2,6-dimethylbenzoate

Systemtic Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2,6-dimethylbenzoate Openeye Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] 2,6-dimethylbenzoate CAS Name: 2,6-dimethylbenzoic 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] 2,6-dimethylbenzoate Traditional Name: 2,6-dimethylbenzoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3C)C

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3C)C

InChI

InChI=1S/C28H39NO2/c1-6-7-8-9-17-29-18-16-28(5,23(4)20-29)24-14-11-15-25(19-24)31-27(30)26-21(2)12-10-13-22(26)3/h10-15,19,23H,6-9,16-18,20H2,1-5H3/t23-,28-/m0/s1