4-[4-[(2S,4R)-4-ethenyl-6-oxidanylidene-oxan-2-yl]butyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(2S,4R)-4-ethenyl-6-oxidanylidene-oxan-2-yl]butyl]benzenecarbonitrile Openeye Name: 4-[4-[(2S,4R)-6-oxo-4-vinyl-tetrahydropyran-2-yl]butyl]benzonitrile CAS Name: 4-[4-[(2S,4R)-4-ethenyl-6-oxo-2-oxanyl]butyl]benzonitrile IUPAC Name: 4-[4-[(2S,4R)-4-ethenyl-6-oxooxan-2-yl]butyl]benzonitrile Traditional Name: 4-[4-[(2S,4R)-6-keto-4-vinyl-tetrahydropyran-2-yl]butyl]benzonitrile Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CC(OC(=O)C1)CCCCC2=CC=C(C=C2)C#N

Isomeric SMILES

C=C[C@@H]1C[C@@H](OC(=O)C1)CCCCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H21NO2/c1-2-14-11-17(21-18(20)12-14)6-4-3-5-15-7-9-16(13-19)10-8-15/h2,7-10,14,17H,1,3-6,11-12H2/t14-,17+/m1/s1