[(1R)-1-cyano-2-[(1R)-2-oxidanyl-1-phenylmethoxy-cyclohexyl]ethyl] ethanoate

Systemtic Name: [(1R)-1-cyano-2-[(1R)-2-oxidanyl-1-phenylmethoxy-cyclohexyl]ethyl] ethanoate Openeye Name: [(1R)-2-[(1R)-1-benzyloxy-2-hydroxy-cyclohexyl]-1-cyano-ethyl] acetate CAS Name: acetic acid [(1R)-1-cyano-2-[(1R)-2-hydroxy-1-phenylmethoxycyclohexyl]ethyl] ester IUPAC Name: [(1R)-1-cyano-2-[(1R)-2-hydroxy-1-phenylmethoxycyclohexyl]ethyl] acetate Traditional Name: acetic acid [(1R)-2-[(1R)-1-benzoxy-2-hydroxy-cyclohexyl]-1-cyano-ethyl] ester Formula: C18H23NO4 MolecularWeight: 317.37952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1(CCCCC1O)OCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(=O)O[C@H](C[C@@]1(CCCCC1O)OCC2=CC=CC=C2)C#N

InChI

InChI=1S/C18H23NO4/c1-14(20)23-16(12-19)11-18(10-6-5-9-17(18)21)22-13-15-7-3-2-4-8-15/h2-4,7-8,16-17,21H,5-6,9-11,13H2,1H3/t16-,17?,18-/m1/s1