[4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)nonanoate

Systemtic Name: [4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)nonanoate Openeye Name: [4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)nonanoate CAS Name: 3-(trifluoromethyl)nonanoic acid [4-[5-(4-octylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] 3-(trifluoromethyl)nonanoate Traditional Name: 3-(trifluoromethyl)pelargonic acid [4-[5-(4-octylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C34H43F3N2O2 MolecularWeight: 568.71263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)CC(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)CC(CCCCCC)C(F)(F)F

InChI

InChI=1S/C34H43F3N2O2/c1-3-5-7-9-10-11-13-26-15-17-27(18-16-26)29-24-38-33(39-25-29)28-19-21-31(22-20-28)41-32(40)23-30(34(35,36)37)14-12-8-6-4-2/h15-22,24-25,30H,3-14,23H2,1-2H3