pyrimidin-5-yl 2-chloranyl-2-(2-fluoranyl-4-octyl-phenyl)-3-methyl-butanoate

Systemtic Name: pyrimidin-5-yl 2-chloranyl-2-(2-fluoranyl-4-octyl-phenyl)-3-methyl-butanoate Openeye Name: pyrimidin-5-yl 2-chloro-2-(2-fluoro-4-octyl-phenyl)-3-methyl-butanoate CAS Name: 2-chloro-2-(2-fluoro-4-octylphenyl)-3-methylbutanoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-chloro-2-(2-fluoro-4-octylphenyl)-3-methylbutanoate Traditional Name: 2-chloro-2-(2-fluoro-4-octyl-phenyl)-3-methyl-butyric acid 5-pyrimidyl ester Formula: C23H30ClFN2O2 MolecularWeight: 420.947903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(C(C)C)(C(=O)OC2=CN=CN=C2)Cl)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(C(C)C)(C(=O)OC2=CN=CN=C2)Cl)F

InChI

InChI=1S/C23H30ClFN2O2/c1-4-5-6-7-8-9-10-18-11-12-20(21(25)13-18)23(24,17(2)3)22(28)29-19-14-26-16-27-15-19/h11-17H,4-10H2,1-3H3