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

Systemtic Name: 4-[4-(5-heptyloxan-2-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(5-heptyltetrahydropyran-2-yl)phenyl]benzonitrile CAS Name: 4-[4-(5-heptyl-2-oxanyl)phenyl]benzonitrile IUPAC Name: 4-[4-(5-heptyloxan-2-yl)phenyl]benzonitrile Traditional Name: 4-[4-(5-heptyltetrahydropyran-2-yl)phenyl]benzonitrile Formula: C25H31NO MolecularWeight: 361.51974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1CCC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31NO/c1-2-3-4-5-6-7-21-10-17-25(27-19-21)24-15-13-23(14-16-24)22-11-8-20(18-26)9-12-22/h8-9,11-16,21,25H,2-7,10,17,19H2,1H3