4-[4-(4-oxidanyl-2-oxidanylidene-4-phenyl-oxan-3-yl)butyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-oxidanyl-2-oxidanylidene-4-phenyl-oxan-3-yl)butyl]benzenecarbonitrile Openeye Name: 4-[4-(4-hydroxy-2-oxo-4-phenyl-tetrahydropyran-3-yl)butyl]benzonitrile CAS Name: 4-[4-(4-hydroxy-2-oxo-4-phenyl-3-oxanyl)butyl]benzonitrile IUPAC Name: 4-[4-(4-hydroxy-2-oxo-4-phenyloxan-3-yl)butyl]benzonitrile Traditional Name: 4-[4-(4-hydroxy-2-keto-4-phenyl-tetrahydropyran-3-yl)butyl]benzonitrile Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(C1(C2=CC=CC=C2)O)CCCCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC(=O)C(C1(C2=CC=CC=C2)O)CCCCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23NO3/c23-16-18-12-10-17(11-13-18)6-4-5-9-20-21(24)26-15-14-22(20,25)19-7-2-1-3-8-19/h1-3,7-8,10-13,20,25H,4-6,9,14-15H2