methyl 4-[2-[3-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidin-5-yl]benzoate

Systemtic Name: methyl 4-[2-[3-fluoranyl-4-(2-fluoranyloctoxy)phenyl]pyrimidin-5-yl]benzoate Openeye Name: methyl 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidin-5-yl]benzoate CAS Name: 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]-5-pyrimidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidin-5-yl]benzoate Traditional Name: 4-[2-[3-fluoro-4-(2-fluorooctoxy)phenyl]pyrimidin-5-yl]benzoic acid methyl ester Formula: C26H28F2N2O3 MolecularWeight: 454.508926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=C(C=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=O)OC)F)F

Isomeric SMILES

CCCCCCC(COC1=C(C=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=O)OC)F)F

InChI

InChI=1S/C26H28F2N2O3/c1-3-4-5-6-7-22(27)17-33-24-13-12-20(14-23(24)28)25-29-15-21(16-30-25)18-8-10-19(11-9-18)26(31)32-2/h8-16,22H,3-7,17H2,1-2H3