[(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-yl] ethanoate

Systemtic Name: [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-yl] ethanoate Openeye Name: [(2S,4S,5R)-5-acetoxy-1,5-dimethyl-2-(p-tolyl)-4-piperidyl] acetate CAS Name: acetic acid [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)-4-piperidinyl] ester IUPAC Name: [(2S,4S,5R)-5-acetyloxy-1,5-dimethyl-2-(4-methylphenyl)piperidin-4-yl] acetate Traditional Name: acetic acid [(2S,4S,5R)-5-acetoxy-1,5-dimethyl-2-(p-tolyl)-4-piperidyl] ester Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(C(CN2C)(C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C[C@@H]([C@](CN2C)(C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C18H25NO4/c1-12-6-8-15(9-7-12)16-10-17(22-13(2)20)18(4,11-19(16)5)23-14(3)21/h6-9,16-17H,10-11H2,1-5H3/t16-,17-,18+/m0/s1