2-[4-(4-octylcyclohexyl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(4-octylcyclohexyl)phenyl]ethanenitrile Openeye Name: 2-[4-(4-octylcyclohexyl)phenyl]acetonitrile CAS Name: 2-[4-(4-octylcyclohexyl)phenyl]acetonitrile IUPAC Name: 2-[4-(4-octylcyclohexyl)phenyl]acetonitrile Traditional Name: 2-[4-(4-octylcyclohexyl)phenyl]acetonitrile Formula: C22H33N MolecularWeight: 311.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C22H33N/c1-2-3-4-5-6-7-8-19-9-13-21(14-10-19)22-15-11-20(12-16-22)17-18-23/h11-12,15-16,19,21H,2-10,13-14,17H2,1H3