[2-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] 2-(trifluoromethyl)octanoate

Systemtic Name: [2-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] 2-(trifluoromethyl)octanoate Openeye Name: [2-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] 2-(trifluoromethyl)octanoate CAS Name: 2-(trifluoromethyl)octanoic acid [2-[5-(4-decoxyphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [2-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] 2-(trifluoromethyl)octanoate Traditional Name: 2-(trifluoromethyl)caprylic acid [2-[5-(4-decoxyphenyl)pyrimidin-2-yl]phenyl] ester Formula: C35H45F3N2O3 MolecularWeight: 598.73861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3OC(=O)C(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=CC=C3OC(=O)C(CCCCCC)C(F)(F)F

InChI

InChI=1S/C35H45F3N2O3/c1-3-5-7-9-10-11-12-16-24-42-29-22-20-27(21-23-29)28-25-39-33(40-26-28)30-17-14-15-19-32(30)43-34(41)31(35(36,37)38)18-13-8-6-4-2/h14-15,17,19-23,25-26,31H,3-13,16,18,24H2,1-2H3