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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC1=CC=CC(=C1)C2=NC(=NC=C2C3=CC=C(C=C3)C(=O)OC)F)F

Isomeric SMILES

CCCCCCC(COC1=CC=CC(=C1)C2=NC(=NC=C2C3=CC=C(C=C3)C(=O)OC)F)F

InChI

InChI=1S/C26H28F2N2O3/c1-3-4-5-6-9-21(27)17-33-22-10-7-8-20(15-22)24-23(16-29-26(28)30-24)18-11-13-19(14-12-18)25(31)32-2/h7-8,10-16,21H,3-6,9,17H2,1-2H3