(1R,2S,4S)-2-ethynyl-1-methyl-4-phenylmethoxy-cyclohexan-1-ol

Systemtic Name: (1R,2S,4S)-2-ethynyl-1-methyl-4-phenylmethoxy-cyclohexan-1-ol Openeye Name: (1R,2S,4S)-4-benzyloxy-2-ethynyl-1-methyl-cyclohexanol CAS Name: (1R,2S,4S)-2-ethynyl-1-methyl-4-phenylmethoxy-1-cyclohexanol IUPAC Name: (1R,2S,4S)-2-ethynyl-1-methyl-4-phenylmethoxycyclohexan-1-ol Traditional Name: (1R,2S,4S)-4-benzoxy-2-ethynyl-1-methyl-cyclohexanol Formula: C16H20O2 MolecularWeight: 244.3288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1C#C)OCC2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C16H20O2/c1-3-14-11-15(9-10-16(14,2)17)18-12-13-7-5-4-6-8-13/h1,4-8,14-15,17H,9-12H2,2H3/t14-,15+,16-/m1/s1