4-[4-(5-butyloxan-2-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(5-butyloxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-butyltetrahydropyran-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-butyl-2-oxanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-butyloxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-butyltetrahydropyran-2-yl)phenyl]benzonitrile Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

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