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

Systemtic Name: 3-chloranyl-4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]-5-methoxy-benzenecarbonitrile Openeye Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethoxy]-5-methoxy-benzonitrile CAS Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethoxy]-5-methoxybenzonitrile IUPAC Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]-5-methoxybenzonitrile Traditional Name: 3-chloro-4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethoxy]-5-methoxy-benzonitrile Formula: C17H21ClN2O3 MolecularWeight: 336.81324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC2=C(C=C(C=C2Cl)C#N)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC2=C(C=C(C=C2Cl)C#N)OC)C

InChI

InChI=1S/C17H21ClN2O3/c1-11-4-12(2)9-20(8-11)16(21)10-23-17-14(18)5-13(7-19)6-15(17)22-3/h5-6,11-12H,4,8-10H2,1-3H3/t11-,12-/m1/s1