[(2R,3R)-2-acetyloxy-1-[5-chloranyl-2-(phenylmethyl)phenyl]piperidin-3-yl] ethanoate

Systemtic Name: [(2R,3R)-2-acetyloxy-1-[5-chloranyl-2-(phenylmethyl)phenyl]piperidin-3-yl] ethanoate Openeye Name: [(2R,3R)-2-acetoxy-1-(2-benzyl-5-chloro-phenyl)-3-piperidyl] acetate CAS Name: acetic acid [(2R,3R)-2-acetyloxy-1-[5-chloro-2-(phenylmethyl)phenyl]-3-piperidinyl] ester IUPAC Name: [(2R,3R)-2-acetyloxy-1-(2-benzyl-5-chlorophenyl)piperidin-3-yl] acetate Traditional Name: acetic acid [(2R,3R)-2-acetoxy-1-(2-benzyl-5-chloro-phenyl)-3-piperidyl] ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCCN(C1OC(=O)C)C2=C(C=CC(=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H]1CCCN([C@@H]1OC(=O)C)C2=C(C=CC(=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H24ClNO4/c1-15(25)27-21-9-6-12-24(22(21)28-16(2)26)20-14-19(23)11-10-18(20)13-17-7-4-3-5-8-17/h3-5,7-8,10-11,14,21-22H,6,9,12-13H2,1-2H3/t21-,22-/m1/s1