(4S,6S)-6-hexyl-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxane-4-carbonitrile

Systemtic Name: (4S,6S)-6-hexyl-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxane-4-carbonitrile Openeye Name: (4S,6S)-4-(benzyloxymethyl)-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile CAS Name: (4S,6S)-6-hexyl-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxane-4-carbonitrile IUPAC Name: (4S,6S)-6-hexyl-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxane-4-carbonitrile Traditional Name: (4S,6S)-4-(benzoxymethyl)-6-hexyl-2,2-dimethyl-1,3-dioxane-4-carbonitrile Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)(C)C)(COCC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCC[C@H]1C[C@@](OC(O1)(C)C)(COCC2=CC=CC=C2)C#N

InChI

InChI=1S/C21H31NO3/c1-4-5-6-10-13-19-14-21(16-22,25-20(2,3)24-19)17-23-15-18-11-8-7-9-12-18/h7-9,11-12,19H,4-6,10,13-15,17H2,1-3H3/t19-,21-/m0/s1