4-[(1E)-cycloocten-1-yl]-5-(4-methylphenyl)pentanenitrile

Systemtic Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methylphenyl)pentanenitrile Openeye Name: 4-[(1E)-cycloocten-1-yl]-5-(p-tolyl)pentanenitrile CAS Name: 4-[(1E)-1-cyclooctenyl]-5-(4-methylphenyl)pentanenitrile IUPAC Name: 4-[(1E)-cycloocten-1-yl]-5-(4-methylphenyl)pentanenitrile Traditional Name: 4-[(1E)-cycloocten-1-yl]-5-(p-tolyl)valeronitrile Formula: C20H27N MolecularWeight: 281.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CCC#N)C2=CCCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CC(CCC#N)/C/2=C/CCCCCC2

InChI

InChI=1S/C20H27N/c1-17-11-13-18(14-12-17)16-20(10-7-15-21)19-8-5-3-2-4-6-9-19/h8,11-14,20H,2-7,9-10,16H2,1H3/b19-8+