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

Systemtic Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)heptanoate Openeye Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)heptanoate CAS Name: 3-(trifluoromethyl)heptanoic acid [4-[5-(4-octoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)heptanoate Traditional Name: 3-(trifluoromethyl)enanthic acid [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C32H39F3N2O3 MolecularWeight: 556.65887

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H39F3N2O3/c1-3-5-7-8-9-10-20-39-28-16-12-24(13-17-28)26-22-36-31(37-23-26)25-14-18-29(19-15-25)40-30(38)21-27(11-6-4-2)32(33,34)35/h12-19,22-23,27H,3-11,20-21H2,1-2H3