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

Systemtic Name: (1R,2R,3S)-2,3-dimethyl-3-oxidanyl-1-(phenylmethyl)cyclohexane-1-carbonitrile Openeye Name: (1R,2R,3S)-1-benzyl-3-hydroxy-2,3-dimethyl-cyclohexanecarbonitrile CAS Name: (1R,2R,3S)-3-hydroxy-2,3-dimethyl-1-(phenylmethyl)-1-cyclohexanecarbonitrile IUPAC Name: (1R,2R,3S)-1-benzyl-3-hydroxy-2,3-dimethylcyclohexane-1-carbonitrile Traditional Name: (1R,2R,3S)-1-benzyl-3-hydroxy-2,3-dimethyl-cyclohexanecarbonitrile Formula: C16H21NO MolecularWeight: 243.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCCC1(CC2=CC=CC=C2)C#N)(C)O

Isomeric SMILES

C[C@H]1[C@@](CCC[C@]1(CC2=CC=CC=C2)C#N)(C)O

InChI

InChI=1S/C16H21NO/c1-13-15(2,18)9-6-10-16(13,12-17)11-14-7-4-3-5-8-14/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-,15-,16-/m0/s1