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

Systemtic Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-(trifluoromethyl)octanoate Openeye Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-(trifluoromethyl)octanoate CAS Name: 2-(trifluoromethyl)octanoic acid [4-[5-(4-decylphenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] 2-(trifluoromethyl)octanoate Traditional Name: 2-(trifluoromethyl)caprylic acid [4-[5-(4-decylphenyl)pyrimidin-2-yl]phenyl] ester Formula: C35H45F3N2O2 MolecularWeight: 582.73921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(CCCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)OC(=O)C(CCCCCC)C(F)(F)F

InChI

InChI=1S/C35H45F3N2O2/c1-3-5-7-9-10-11-12-13-15-27-17-19-28(20-18-27)30-25-39-33(40-26-30)29-21-23-31(24-22-29)42-34(41)32(35(36,37)38)16-14-8-6-4-2/h17-26,32H,3-16H2,1-2H3