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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-butoxyphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-butoxyphenyl)cyclohexanecarboxylate CAS Name: 4-(4-butoxyphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-butoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butoxyphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C24H25F2NO3 MolecularWeight: 413.457006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C24H25F2NO3/c1-2-3-14-29-20-11-8-17(9-12-20)16-4-6-18(7-5-16)24(28)30-21-13-10-19(15-27)22(25)23(21)26/h8-13,16,18H,2-7,14H2,1H3