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

Systemtic Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)undecanoate Openeye Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)undecanoate CAS Name: 3-(trifluoromethyl)undecanoic acid [4-[5-(4-octoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)undecanoate Traditional Name: 3-(trifluoromethyl)undecanoic acid [4-[5-(4-octoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C36H47F3N2O3 MolecularWeight: 612.76519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCCCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCC(CC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCCCCCCCC)C(F)(F)F

InChI

InChI=1S/C36H47F3N2O3/c1-3-5-7-9-11-13-15-31(36(37,38)39)25-34(42)44-33-22-18-29(19-23-33)35-40-26-30(27-41-35)28-16-20-32(21-17-28)43-24-14-12-10-8-6-4-2/h16-23,26-27,31H,3-15,24-25H2,1-2H3