[4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 3-fluoranyloctanoate

Systemtic Name: [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 3-fluoranyloctanoate Openeye Name: [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 3-fluorooctanoate CAS Name: 3-fluorooctanoic acid [4-[4-(5-octyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] 3-fluorooctanoate Traditional Name: 3-fluorocaprylic acid [4-[4-(5-octylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C32H41FN2O2 MolecularWeight: 504.678543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CC(CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CC(CCCCC)F

InChI

InChI=1S/C32H41FN2O2/c1-3-5-7-8-9-11-12-25-23-34-32(35-24-25)28-16-14-26(15-17-28)27-18-20-30(21-19-27)37-31(36)22-29(33)13-10-6-4-2/h14-21,23-24,29H,3-13,22H2,1-2H3