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

Systemtic Name: [2,3-bis(fluoranyl)-4-methoxy-phenyl] 4-(1-pentan-2-ylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-methoxy-phenyl) 4-[1-(1-methylbutyl)cyclohexyl]cyclohexanecarboxylate CAS Name: 4-(1-pentan-2-ylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-methoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-methoxyphenyl) 4-(1-pentan-2-ylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-[1-(1-methylbutyl)cyclohexyl]cyclohexanecarboxylic acid (2,3-difluoro-4-methoxy-phenyl) ester Formula: C25H36F2O3 MolecularWeight: 422.548346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(CCCCC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OC)F)F

Isomeric SMILES

CCCC(C)C1(CCCCC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)OC)F)F

InChI

InChI=1S/C25H36F2O3/c1-4-8-17(2)25(15-6-5-7-16-25)19-11-9-18(10-12-19)24(28)30-21-14-13-20(29-3)22(26)23(21)27/h13-14,17-19H,4-12,15-16H2,1-3H3