4-[4-(2-heptoxyethyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-heptoxyethyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(2-heptoxyethyl)phenyl]benzonitrile CAS Name: 4-[4-(2-heptoxyethyl)phenyl]benzonitrile IUPAC Name: 4-[4-(2-heptoxyethyl)phenyl]benzonitrile Traditional Name: 4-[4-(2-heptoxyethyl)phenyl]benzonitrile Formula: C22H27NO MolecularWeight: 321.45588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCOCCC1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H27NO/c1-2-3-4-5-6-16-24-17-15-19-7-11-21(12-8-19)22-13-9-20(18-23)10-14-22/h7-14H,2-6,15-17H2,1H3