(1S,2S,5R)-5-methyl-2-propan-2-yl-1-(2-pyridin-3-ylethynyl)cyclohexan-1-ol

Systemtic Name: (1S,2S,5R)-5-methyl-2-propan-2-yl-1-(2-pyridin-3-ylethynyl)cyclohexan-1-ol Openeye Name: (1S,2S,5R)-2-isopropyl-5-methyl-1-[2-(3-pyridyl)ethynyl]cyclohexanol CAS Name: (1S,2S,5R)-5-methyl-2-propan-2-yl-1-[2-(3-pyridinyl)ethynyl]-1-cyclohexanol IUPAC Name: (1S,2S,5R)-5-methyl-2-propan-2-yl-1-(2-pyridin-3-ylethynyl)cyclohexan-1-ol Traditional Name: (1S,2S,5R)-2-isopropyl-5-methyl-1-[2-(3-pyridyl)ethynyl]cyclohexanol Formula: C17H23NO MolecularWeight: 257.37062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)(C#CC2=CN=CC=C2)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@](C1)(C#CC2=CN=CC=C2)O)C(C)C

InChI

InChI=1S/C17H23NO/c1-13(2)16-7-6-14(3)11-17(16,19)9-8-15-5-4-10-18-12-15/h4-5,10,12-14,16,19H,6-7,11H2,1-3H3/t14-,16+,17+/m1/s1