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

Systemtic Name: (1R,2R,3S)-3-methyl-3-oxidanyl-2-phenyl-1-(phenylmethyl)cyclohexane-1-carbonitrile Openeye Name: (1R,2R,3S)-1-benzyl-3-hydroxy-3-methyl-2-phenyl-cyclohexanecarbonitrile CAS Name: (1R,2R,3S)-3-hydroxy-3-methyl-2-phenyl-1-(phenylmethyl)-1-cyclohexanecarbonitrile IUPAC Name: (1R,2R,3S)-1-benzyl-3-hydroxy-3-methyl-2-phenylcyclohexane-1-carbonitrile Traditional Name: (1R,2R,3S)-1-benzyl-3-hydroxy-3-methyl-2-phenyl-cyclohexanecarbonitrile Formula: C21H23NO MolecularWeight: 305.41342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(C1C2=CC=CC=C2)(CC3=CC=CC=C3)C#N)O

Isomeric SMILES

C[C@@]1(CCC[C@]([C@H]1C2=CC=CC=C2)(CC3=CC=CC=C3)C#N)O

InChI

InChI=1S/C21H23NO/c1-20(23)13-8-14-21(16-22,15-17-9-4-2-5-10-17)19(20)18-11-6-3-7-12-18/h2-7,9-12,19,23H,8,13-15H2,1H3/t19-,20-,21-/m0/s1