[4-(5-decylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)heptanoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)heptanoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)heptanoate CAS Name: 3-(trifluoromethyl)heptanoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-(trifluoromethyl)heptanoate Traditional Name: 3-(trifluoromethyl)enanthic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C28H39F3N2O2 MolecularWeight: 492.61667

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(CCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(CCCC)C(F)(F)F

InChI

InChI=1S/C28H39F3N2O2/c1-3-5-7-8-9-10-11-12-13-22-20-32-27(33-21-22)23-15-17-25(18-16-23)35-26(34)19-24(14-6-4-2)28(29,30)31/h15-18,20-21,24H,3-14,19H2,1-2H3