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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-ethoxyphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-ethoxyphenyl)cyclohexanecarboxylate CAS Name: 4-(4-ethoxyphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-ethoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-p-phenetylcyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C22H21F2NO3 MolecularWeight: 385.403846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C22H21F2NO3/c1-2-27-18-10-7-15(8-11-18)14-3-5-16(6-4-14)22(26)28-19-12-9-17(13-25)20(23)21(19)24/h7-12,14,16H,2-6H2,1H3