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

Systemtic Name: [3-ethoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-nonoxypyrimidin-2-yl)benzoate Openeye Name: [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-nonoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-nonoxy-2-pyrimidinyl)benzoic acid (3-ethoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-ethoxy-1,1,1-trifluoropropan-2-yl) 4-(5-nonoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-nonoxypyrimidin-2-yl)benzoic acid [1-(ethoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C25H33F3N2O4 MolecularWeight: 482.53573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCC)C(F)(F)F

InChI

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