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

Systemtic Name: 3-(4-octoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile Openeye Name: 3-(4-octoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile CAS Name: 3-(4-octoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile IUPAC Name: 3-(4-octoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile Traditional Name: 2-(4-amylcyclohexyl)-3-(4-octoxyphenyl)propionitrile Formula: C28H45NO MolecularWeight: 411.663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

InChI

InChI=1S/C28H45NO/c1-3-5-7-8-9-11-21-30-28-19-15-25(16-20-28)22-27(23-29)26-17-13-24(14-18-26)12-10-6-4-2/h15-16,19-20,24,26-27H,3-14,17-18,21-22H2,1-2H3