(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 3-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)-2-oxidanyl-phenoxy]propanoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 3-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)-2-oxidanyl-phenoxy]propanoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 3-[4-(5-chloro-3-fluoro-2-pyridyl)-2-hydroxy-phenoxy]propanoate CAS Name: 3-[4-(5-chloro-3-fluoro-2-pyridinyl)-2-hydroxyphenoxy]propanoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 3-[4-(5-chloro-3-fluoropyridin-2-yl)-2-hydroxyphenoxy]propanoate Traditional Name: 3-[4-(5-chloro-3-fluoro-2-pyridyl)-2-hydroxy-phenoxy]propionic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C22H21ClFNO5 MolecularWeight: 433.857243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OC(=O)CCOC2=C(C=C(C=C2)C3=NC=C(C=C3F)Cl)O)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OC(=O)CCOC2=C(C=C(C=C2)C3=NC=C(C=C3F)Cl)O)C

InChI

InChI=1S/C22H21ClFNO5/c1-22(2)10-15(26)9-16(11-22)30-20(28)5-6-29-19-4-3-13(7-18(19)27)21-17(24)8-14(23)12-25-21/h3-4,7-9,12,27H,5-6,10-11H2,1-2H3