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

Systemtic Name: [2-fluoranyl-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 2-fluoranylheptanoate Openeye Name: [2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 2-fluoroheptanoate CAS Name: 2-fluoroheptanoic acid [2-fluoro-4-[5-(4-octylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 2-fluoroheptanoate Traditional Name: 2-fluoroenanthic acid [2-fluoro-4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C31H38F2N2O2 MolecularWeight: 508.642426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38F2N2O2/c1-3-5-7-8-9-11-12-23-14-16-24(17-15-23)26-21-34-30(35-22-26)25-18-19-29(28(33)20-25)37-31(36)27(32)13-10-6-4-2/h14-22,27H,3-13H2,1-2H3