[2,3-bis(fluoranyl)-4-pentoxy-phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [2,3-bis(fluoranyl)-4-pentoxy-phenyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2,3-difluoro-4-pentoxy-phenyl) 4-(4-propylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-propylcyclohexyl)-1-cyclohexanecarboxylic acid (2,3-difluoro-4-pentoxyphenyl) ester IUPAC Name: (2,3-difluoro-4-pentoxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-propylcyclohexyl)cyclohexanecarboxylic acid (4-amoxy-2,3-difluoro-phenyl) ester Formula: C27H40F2O3 MolecularWeight: 450.601506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)F)F

Isomeric SMILES

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2CCC(CC2)C3CCC(CC3)CCC)F)F

InChI

InChI=1S/C27H40F2O3/c1-3-5-6-18-31-23-16-17-24(26(29)25(23)28)32-27(30)22-14-12-21(13-15-22)20-10-8-19(7-4-2)9-11-20/h16-17,19-22H,3-15,18H2,1-2H3