[4-(5-nonylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C27H29F3N2O2 MolecularWeight: 470.52657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C27H29F3N2O2/c1-2-3-4-5-6-7-8-9-20-18-31-25(32-19-20)21-12-16-24(17-13-21)34-26(33)22-10-14-23(15-11-22)27(28,29)30/h10-19H,2-9H2,1H3