3-chloranyl-4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethoxy]benzonitrile Formula: C16H19ClN2O2 MolecularWeight: 306.78726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2)C#N)Cl)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=C(C=C(C=C2)C#N)Cl)C

InChI

InChI=1S/C16H19ClN2O2/c1-11-5-12(2)9-19(8-11)16(20)10-21-15-4-3-13(7-18)6-14(15)17/h3-4,6,11-12H,5,8-10H2,1-2H3/t11-,12-/m1/s1