[4-butoxy-2,3-bis(fluoranyl)phenyl] 4-(1-pentan-2-ylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [4-butoxy-2,3-bis(fluoranyl)phenyl] 4-(1-pentan-2-ylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-butoxy-2,3-difluoro-phenyl) 4-[1-(1-methylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-(1-pentan-2-ylcyclohexyl)-1-cyclohexanecarboxylic acid (4-butoxy-2,3-difluorophenyl) ester IUPAC Name: (4-butoxy-2,3-difluorophenyl) 4-(1-pentan-2-ylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-[1-(1-methylbutyl)cyclohexyl]cyclohexanecarboxylic acid (4-butoxy-2,3-difluoro-phenyl) ester Formula: C28H42F2O3 MolecularWeight: 464.628086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3(CCCCC3)C(C)CCC)F)F

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3(CCCCC3)C(C)CCC)F)F

InChI

InChI=1S/C28H42F2O3/c1-4-6-19-32-23-15-16-24(26(30)25(23)29)33-27(31)21-11-13-22(14-12-21)28(20(3)10-5-2)17-8-7-9-18-28/h15-16,20-22H,4-14,17-19H2,1-3H3