ethyl 1-[[3-[(1R,2R)-2-acetyloxy-1-oxidanyl-cyclohexyl]phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-[(1R,2R)-2-acetyloxy-1-oxidanyl-cyclohexyl]phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-[(1R,2R)-2-acetoxy-1-hydroxy-cyclohexyl]phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-[(1R,2R)-2-acetyloxy-1-hydroxycyclohexyl]phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-[(1R,2R)-2-acetyloxy-1-hydroxycyclohexyl]phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1R,2R)-2-acetoxy-1-hydroxy-cyclohexyl]benzyl]isonipecotic acid ethyl ester Formula: C23H33NO5 MolecularWeight: 403.51182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC=CC(=C2)C3(CCCCC3OC(=O)C)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC=CC(=C2)[C@@]3(CCCC[C@H]3OC(=O)C)O

InChI

InChI=1S/C23H33NO5/c1-3-28-22(26)19-10-13-24(14-11-19)16-18-7-6-8-20(15-18)23(27)12-5-4-9-21(23)29-17(2)25/h6-8,15,19,21,27H,3-5,9-14,16H2,1-2H3/t21-,23-/m1/s1