2-(4-heptylcyclohexyl)-3-(4-pentylphenyl)propanenitrile

Systemtic Name: 2-(4-heptylcyclohexyl)-3-(4-pentylphenyl)propanenitrile Openeye Name: 2-(4-heptylcyclohexyl)-3-(4-pentylphenyl)propanenitrile CAS Name: 2-(4-heptylcyclohexyl)-3-(4-pentylphenyl)propanenitrile IUPAC Name: 2-(4-heptylcyclohexyl)-3-(4-pentylphenyl)propanenitrile Traditional Name: 3-(4-amylphenyl)-2-(4-heptylcyclohexyl)propionitrile Formula: C27H43N MolecularWeight: 381.63702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(CC2=CC=C(C=C2)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(CC2=CC=C(C=C2)CCCCC)C#N

InChI

InChI=1S/C27H43N/c1-3-5-7-8-10-12-24-17-19-26(20-18-24)27(22-28)21-25-15-13-23(14-16-25)11-9-6-4-2/h13-16,24,26-27H,3-12,17-21H2,1-2H3