4-[4-(6-butyloxan-3-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(6-butyloxan-3-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(6-butyltetrahydropyran-3-yl)phenyl]benzonitrile CAS Name: 4-[4-(6-butyl-3-oxanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(6-butyloxan-3-yl)phenyl]benzonitrile Traditional Name: 4-[4-(6-butyltetrahydropyran-3-yl)phenyl]benzonitrile Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1CCC(CO1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H25NO/c1-2-3-4-22-14-13-21(16-24-22)20-11-9-19(10-12-20)18-7-5-17(15-23)6-8-18/h5-12,21-22H,2-4,13-14,16H2,1H3