methyl (3E)-1-(4-fluorophenyl)-3-[methoxy(oxidanyl)methylidene]-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (3E)-1-(4-fluorophenyl)-3-[methoxy(oxidanyl)methylidene]-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (3E)-1-(4-fluorophenyl)-3-[hydroxy(methoxy)methylene]-4-oxo-cyclohexanecarboxylate CAS Name: (3E)-1-(4-fluorophenyl)-3-[hydroxy(methoxy)methylidene]-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (3E)-1-(4-fluorophenyl)-3-[hydroxy(methoxy)methylidene]-4-oxocyclohexane-1-carboxylate Traditional Name: (3E)-1-(4-fluorophenyl)-3-[hydroxy(methoxy)methylene]-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C16H17FO5 MolecularWeight: 308.301583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1CC(CCC1=O)(C2=CC=C(C=C2)F)C(=O)OC)O

Isomeric SMILES

CO/C(=C/1\CC(CCC1=O)(C2=CC=C(C=C2)F)C(=O)OC)/O

InChI

InChI=1S/C16H17FO5/c1-21-14(19)12-9-16(15(20)22-2,8-7-13(12)18)10-3-5-11(17)6-4-10/h3-6,19H,7-9H2,1-2H3/b14-12+