1-butyl-4-[4-(3-fluoranyl-4-octoxy-phenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-butyl-4-[4-(3-fluoranyl-4-octoxy-phenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-(3-fluoro-4-octoxy-phenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-(3-fluoro-4-octoxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-(3-fluoro-4-octoxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-(3-fluoro-4-octoxy-phenyl)phenyl]cyclohexanecarbonitrile Formula: C31H42FNO MolecularWeight: 463.669683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCCC)C#N)F

InChI

InChI=1S/C31H42FNO/c1-3-5-7-8-9-10-22-34-30-16-15-28(23-29(30)32)26-13-11-25(12-14-26)27-17-20-31(24-33,21-18-27)19-6-4-2/h11-16,23,27H,3-10,17-22H2,1-2H3