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

Systemtic Name: [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] 3-(trifluoromethyl)nonanoate Openeye Name: [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] 3-(trifluoromethyl)nonanoate CAS Name: 3-(trifluoromethyl)nonanoic acid [4-[4-(5-octoxy-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] 3-(trifluoromethyl)nonanoate Traditional Name: 3-(trifluoromethyl)pelargonic acid [4-[4-(5-octoxypyrimidin-2-yl)phenyl]phenyl] ester Formula: C34H43F3N2O3 MolecularWeight: 584.71203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H43F3N2O3/c1-3-5-7-9-10-12-22-41-31-24-38-33(39-25-31)28-16-14-26(15-17-28)27-18-20-30(21-19-27)42-32(40)23-29(34(35,36)37)13-11-8-6-4-2/h14-21,24-25,29H,3-13,22-23H2,1-2H3