4-[(2S,3R,6S)-6-methyl-3-prop-1-en-2-yl-oxan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[(2S,3R,6S)-6-methyl-3-prop-1-en-2-yl-oxan-2-yl]benzenecarbonitrile Openeye Name: 4-[(2S,3R,6S)-3-isopropenyl-6-methyl-tetrahydropyran-2-yl]benzonitrile CAS Name: 4-[(2S,3R,6S)-6-methyl-3-(1-methylethenyl)-2-oxanyl]benzonitrile IUPAC Name: 4-[(2S,3R,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]benzonitrile Traditional Name: 4-[(2S,3R,6S)-3-isopropenyl-6-methyl-tetrahydropyran-2-yl]benzonitrile Formula: C16H19NO MolecularWeight: 241.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(O1)C2=CC=C(C=C2)C#N)C(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO/c1-11(2)15-9-4-12(3)18-16(15)14-7-5-13(10-17)6-8-14/h5-8,12,15-16H,1,4,9H2,2-3H3/t12-,15+,16+/m0/s1