(1S,2S,3R)-1,3-dimethyl-3-oxidanyl-2-phenethyl-cyclohexane-1-carbonitrile

Systemtic Name: (1S,2S,3R)-1,3-dimethyl-3-oxidanyl-2-phenethyl-cyclohexane-1-carbonitrile Openeye Name: (1S,2S,3R)-3-hydroxy-1,3-dimethyl-2-phenethyl-cyclohexanecarbonitrile CAS Name: (1S,2S,3R)-3-hydroxy-1,3-dimethyl-2-phenethyl-1-cyclohexanecarbonitrile IUPAC Name: (1S,2S,3R)-3-hydroxy-1,3-dimethyl-2-phenethylcyclohexane-1-carbonitrile Traditional Name: (1S,2S,3R)-3-hydroxy-1,3-dimethyl-2-phenethyl-cyclohexanecarbonitrile Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1CCC2=CC=CC=C2)(C)O)C#N

Isomeric SMILES

C[C@@]1(CCC[C@@]([C@H]1CCC2=CC=CC=C2)(C)O)C#N

InChI

InChI=1S/C17H23NO/c1-16(13-18)11-6-12-17(2,19)15(16)10-9-14-7-4-3-5-8-14/h3-5,7-8,15,19H,6,9-12H2,1-2H3/t15-,16+,17+/m0/s1