[4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2-fluoranylheptanoate

Systemtic Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2-fluoranylheptanoate Openeye Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2-fluoroheptanoate CAS Name: 2-fluoroheptanoic acid [4-[5-(4-octoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 2-fluoroheptanoate Traditional Name: 2-fluoroenanthic acid [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(CCCCC)F

InChI

InChI=1S/C31H39FN2O3/c1-3-5-7-8-9-11-21-36-27-17-13-24(14-18-27)26-22-33-30(34-23-26)25-15-19-28(20-16-25)37-31(35)29(32)12-10-6-4-2/h13-20,22-23,29H,3-12,21H2,1-2H3