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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-propoxycyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-propoxycyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-propoxycyclohexyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-propoxycyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propoxycyclohexyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C23H29F2NO3 MolecularWeight: 405.478066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCOC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C23H29F2NO3/c1-2-13-28-19-10-7-16(8-11-19)15-3-5-17(6-4-15)23(27)29-20-12-9-18(14-26)21(24)22(20)25/h9,12,15-17,19H,2-8,10-11,13H2,1H3