2,3-bis(fluoranyl)-4-[[4-(4-pentylphenyl)cyclohexyl]methoxy]benzenecarbonitrile

Systemtic Name: 2,3-bis(fluoranyl)-4-[[4-(4-pentylphenyl)cyclohexyl]methoxy]benzenecarbonitrile Openeye Name: 2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohexyl]methoxy]benzonitrile CAS Name: 2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohexyl]methoxy]benzonitrile IUPAC Name: 2,3-difluoro-4-[[4-(4-pentylphenyl)cyclohexyl]methoxy]benzonitrile Traditional Name: 4-[[4-(4-amylphenyl)cyclohexyl]methoxy]-2,3-difluoro-benzonitrile Formula: C25H29F2NO MolecularWeight: 397.500666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)COC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)COC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C25H29F2NO/c1-2-3-4-5-18-6-10-20(11-7-18)21-12-8-19(9-13-21)17-29-23-15-14-22(16-28)24(26)25(23)27/h6-7,10-11,14-15,19,21H,2-5,8-9,12-13,17H2,1H3