4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzenecarbonitrile Openeye Name: 4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzonitrile CAS Name: 4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzonitrile IUPAC Name: 4-[(2S)-5-pentyl-4H-1,3-dioxin-2-yl]benzonitrile Traditional Name: 4-[(2S)-5-amyl-4H-1,3-dioxin-2-yl]benzonitrile Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=COC(OC1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1=CO[C@H](OC1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H19NO2/c1-2-3-4-5-14-11-18-16(19-12-14)15-8-6-13(10-17)7-9-15/h6-9,11,16H,2-5,12H2,1H3/t16-/m1/s1