[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-butylphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butylphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C24H25F2NO2 MolecularWeight: 397.457606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C24H25F2NO2/c1-2-3-4-16-5-7-17(8-6-16)18-9-11-19(12-10-18)24(28)29-21-14-13-20(15-27)22(25)23(21)26/h5-8,13-14,18-19H,2-4,9-12H2,1H3