[4-[5-(2-fluoranyloctyl)pyrimidin-2-yl]phenyl] 9-cyclopentylnonanoate

Systemtic Name: [4-[5-(2-fluoranyloctyl)pyrimidin-2-yl]phenyl] 9-cyclopentylnonanoate Openeye Name: [4-[5-(2-fluorooctyl)pyrimidin-2-yl]phenyl] 9-cyclopentylnonanoate CAS Name: 9-cyclopentylnonanoic acid [4-[5-(2-fluorooctyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(2-fluorooctyl)pyrimidin-2-yl]phenyl] 9-cyclopentylnonanoate Traditional Name: 9-cyclopentylpelargonic acid [4-[5-(2-fluorooctyl)pyrimidin-2-yl]phenyl] ester Formula: C32H47FN2O2 MolecularWeight: 510.726183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCCC3CCCC3)F

Isomeric SMILES

CCCCCCC(CC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CCCCCCCCC3CCCC3)F

InChI

InChI=1S/C32H47FN2O2/c1-2-3-4-10-17-29(33)23-27-24-34-32(35-25-27)28-19-21-30(22-20-28)37-31(36)18-11-8-6-5-7-9-14-26-15-12-13-16-26/h19-22,24-26,29H,2-18,23H2,1H3