[4-[2-(4-octyl-2-pyrimidin-2-yl-phenyl)ethyl]cyclohexyl] 2-fluoranyloctanoate

Systemtic Name: [4-[2-(4-octyl-2-pyrimidin-2-yl-phenyl)ethyl]cyclohexyl] 2-fluoranyloctanoate Openeye Name: [4-[2-(4-octyl-2-pyrimidin-2-yl-phenyl)ethyl]cyclohexyl] 2-fluorooctanoate CAS Name: 2-fluorooctanoic acid [4-[2-[4-octyl-2-(2-pyrimidinyl)phenyl]ethyl]cyclohexyl] ester IUPAC Name: [4-[2-(4-octyl-2-pyrimidin-2-ylphenyl)ethyl]cyclohexyl] 2-fluorooctanoate Traditional Name: 2-fluorocaprylic acid [4-[2-[4-octyl-2-(2-pyrimidyl)phenyl]ethyl]cyclohexyl] ester Formula: C34H51FN2O2 MolecularWeight: 538.779343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)CCC2CCC(CC2)OC(=O)C(CCCCCC)F)C3=NC=CC=N3

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)CCC2CCC(CC2)OC(=O)C(CCCCCC)F)C3=NC=CC=N3

InChI

InChI=1S/C34H51FN2O2/c1-3-5-7-9-10-11-14-28-17-21-29(31(26-28)33-36-24-13-25-37-33)20-16-27-18-22-30(23-19-27)39-34(38)32(35)15-12-8-6-4-2/h13,17,21,24-27,30,32H,3-12,14-16,18-20,22-23H2,1-2H3