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

Systemtic Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] 2-acetyloxybenzoate Openeye Name: [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic 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-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid [3-[(3R,4S)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CCCCCCN1CC[C@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C28H37NO4/c1-5-6-7-10-17-29-18-16-28(4,21(2)20-29)23-12-11-13-24(19-23)33-27(31)25-14-8-9-15-26(25)32-22(3)30/h8-9,11-15,19,21H,5-7,10,16-18,20H2,1-4H3/t21-,28-/m0/s1