4-[4-(2-fluoranyl-4-octoxy-phenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile

Systemtic Name: 4-[4-(2-fluoranyl-4-octoxy-phenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile Openeye Name: 4-[4-(2-fluoro-4-octoxy-phenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile CAS Name: 4-[4-(2-fluoro-4-octoxyphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile IUPAC Name: 4-[4-(2-fluoro-4-octoxyphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile Traditional Name: 4-[4-(2-fluoro-4-octoxy-phenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butyronitrile Formula: C38H56FNO MolecularWeight: 561.855743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC(CC3CCC(CC3)CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CCC(CC3CCC(CC3)CCCCCCC)C#N)F

InChI

InChI=1S/C38H56FNO/c1-3-5-7-9-11-13-27-41-36-25-26-37(38(39)29-36)35-23-21-32(22-24-35)17-20-34(30-40)28-33-18-15-31(16-19-33)14-12-10-8-6-4-2/h21-26,29,31,33-34H,3-20,27-28H2,1-2H3