2-[(E)-4-(4-octylcyclohexyl)but-3-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-4-(4-octylcyclohexyl)but-3-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-4-(4-octylcyclohexyl)but-3-enyl]benzonitrile CAS Name: 2-[(E)-4-(4-octylcyclohexyl)but-3-enyl]benzonitrile IUPAC Name: 2-[(E)-4-(4-octylcyclohexyl)but-3-enyl]benzonitrile Traditional Name: 2-[(E)-4-(4-octylcyclohexyl)but-3-enyl]benzonitrile Formula: C25H37N MolecularWeight: 351.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C=CCCC2=CC=CC=C2C#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)/C=C/CCC2=CC=CC=C2C#N

InChI

InChI=1S/C25H37N/c1-2-3-4-5-6-7-12-22-17-19-23(20-18-22)13-8-9-14-24-15-10-11-16-25(24)21-26/h8,10-11,13,15-16,22-23H,2-7,9,12,14,17-20H2,1H3/b13-8+