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

Systemtic Name: pyridin-3-yl 2-chloranyl-2-(2-fluoranyl-4-octyl-phenyl)-3-methyl-butanoate Openeye Name: 3-pyridyl 2-chloro-2-(2-fluoro-4-octyl-phenyl)-3-methyl-butanoate CAS Name: 2-chloro-2-(2-fluoro-4-octylphenyl)-3-methylbutanoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 2-chloro-2-(2-fluoro-4-octylphenyl)-3-methylbutanoate Traditional Name: 2-chloro-2-(2-fluoro-4-octyl-phenyl)-3-methyl-butyric acid 3-pyridyl ester Formula: C24H31ClFNO2 MolecularWeight: 419.959843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClFNO2/c1-4-5-6-7-8-9-11-19-13-14-21(22(26)16-19)24(25,18(2)3)23(28)29-20-12-10-15-27-17-20/h10,12-18H,4-9,11H2,1-3H3