(4S,6S)-6-hexyl-2,2-dimethyl-4-[oxidanyl(phenyl)methyl]-1,3-dioxane-4-carbonitrile

Systemtic Name: (4S,6S)-6-hexyl-2,2-dimethyl-4-[oxidanyl(phenyl)methyl]-1,3-dioxane-4-carbonitrile Openeye Name: (4S,6S)-6-hexyl-4-[hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile CAS Name: (4S,6S)-6-hexyl-4-[hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile IUPAC Name: (4S,6S)-6-hexyl-4-[hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile Traditional Name: (4S,6S)-6-hexyl-4-[hydroxy(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4-carbonitrile Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)(C)C)(C#N)C(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCC[C@H]1C[C@](OC(O1)(C)C)(C#N)C(C2=CC=CC=C2)O

InChI

InChI=1S/C20H29NO3/c1-4-5-6-10-13-17-14-20(15-21,24-19(2,3)23-17)18(22)16-11-8-7-9-12-16/h7-9,11-12,17-18,22H,4-6,10,13-14H2,1-3H3/t17-,18?,20-/m0/s1