[1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-decoxypyrimidin-2-yl)benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 4-(5-decoxypyrimidin-2-yl)benzoate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 4-(5-decoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-decoxy-2-pyrimidinyl)benzoic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 4-(5-decoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-decoxypyrimidin-2-yl)benzoic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C25H33F3N2O4 MolecularWeight: 482.53573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COC)C(F)(F)F

InChI

InChI=1S/C25H33F3N2O4/c1-3-4-5-6-7-8-9-10-15-33-21-16-29-23(30-17-21)19-11-13-20(14-12-19)24(31)34-22(18-32-2)25(26,27)28/h11-14,16-17,22H,3-10,15,18H2,1-2H3