3-(4-octylphenyl)-2-(4-pentylcyclohexyl)propanenitrile

Systemtic Name: 3-(4-octylphenyl)-2-(4-pentylcyclohexyl)propanenitrile Openeye Name: 3-(4-octylphenyl)-2-(4-pentylcyclohexyl)propanenitrile CAS Name: 3-(4-octylphenyl)-2-(4-pentylcyclohexyl)propanenitrile IUPAC Name: 3-(4-octylphenyl)-2-(4-pentylcyclohexyl)propanenitrile Traditional Name: 2-(4-amylcyclohexyl)-3-(4-octylphenyl)propionitrile Formula: C28H45N MolecularWeight: 395.6636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

InChI

InChI=1S/C28H45N/c1-3-5-7-8-9-11-13-24-14-16-26(17-15-24)22-28(23-29)27-20-18-25(19-21-27)12-10-6-4-2/h14-17,25,27-28H,3-13,18-22H2,1-2H3