(2S,4R,6S)-2-methyl-6-phenethyl-1,3-dioxane-4-carbonitrile

Systemtic Name: (2S,4R,6S)-2-methyl-6-phenethyl-1,3-dioxane-4-carbonitrile Openeye Name: (2S,4R,6S)-2-methyl-6-phenethyl-1,3-dioxane-4-carbonitrile CAS Name: (2S,4R,6S)-2-methyl-6-phenethyl-1,3-dioxane-4-carbonitrile IUPAC Name: (2S,4R,6S)-2-methyl-6-phenethyl-1,3-dioxane-4-carbonitrile Traditional Name: (2S,4R,6S)-2-methyl-6-phenethyl-1,3-dioxane-4-carbonitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC1OC(CC(O1)C#N)CCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1O[C@H](C[C@@H](O1)C#N)CCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO2/c1-11-16-13(9-14(10-15)17-11)8-7-12-5-3-2-4-6-12/h2-6,11,13-14H,7-9H2,1H3/t11-,13-,14+/m0/s1