4-[3-[(2R,5S)-5-ethyl-2-methyl-piperidin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[(2R,5S)-5-ethyl-2-methyl-piperidin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[3-[(2R,5S)-5-ethyl-2-methyl-1-piperidyl]propoxy]benzonitrile CAS Name: 4-[3-[(2R,5S)-5-ethyl-2-methyl-1-piperidinyl]propoxy]benzonitrile IUPAC Name: 4-[3-[(2R,5S)-5-ethyl-2-methylpiperidin-1-yl]propoxy]benzonitrile Traditional Name: 4-[3-[(2R,5S)-5-ethyl-2-methyl-piperidino]propoxy]benzonitrile Formula: C18H26N2O MolecularWeight: 286.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N(C1)CCCOC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC[C@H]1CC[C@H](N(C1)CCCOC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C18H26N2O/c1-3-16-6-5-15(2)20(14-16)11-4-12-21-18-9-7-17(13-19)8-10-18/h7-10,15-16H,3-6,11-12,14H2,1-2H3/t15-,16+/m1/s1