[4-(5-octoxypyrimidin-2-yl)phenyl] 2,3,5-tris(fluoranyl)-4-methoxy-benzoate

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2,3,5-tris(fluoranyl)-4-methoxy-benzoate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2,3,5-trifluoro-4-methoxy-benzoate CAS Name: 2,3,5-trifluoro-4-methoxybenzoic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 2,3,5-trifluoro-4-methoxybenzoate Traditional Name: 2,3,5-trifluoro-4-methoxy-benzoic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C26H27F3N2O4 MolecularWeight: 488.49879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3F)F)OC)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C(=C3F)F)OC)F

InChI

InChI=1S/C26H27F3N2O4/c1-3-4-5-6-7-8-13-34-19-15-30-25(31-16-19)17-9-11-18(12-10-17)35-26(32)20-14-21(27)24(33-2)23(29)22(20)28/h9-12,14-16H,3-8,13H2,1-2H3