4-[(E)-4-(4-pentylcyclohexyl)but-2-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-4-(4-pentylcyclohexyl)but-2-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-4-(4-pentylcyclohexyl)but-2-enyl]benzonitrile CAS Name: 4-[(E)-4-(4-pentylcyclohexyl)but-2-enyl]benzonitrile IUPAC Name: 4-[(E)-4-(4-pentylcyclohexyl)but-2-enyl]benzonitrile Traditional Name: 4-[(E)-4-(4-amylcyclohexyl)but-2-enyl]benzonitrile Formula: C22H31N MolecularWeight: 309.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CC=CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C/C=C/CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H31N/c1-2-3-4-7-19-10-12-20(13-11-19)8-5-6-9-21-14-16-22(18-23)17-15-21/h5-6,14-17,19-20H,2-4,7-13H2,1H3/b6-5+