3-methylbutan-2-yl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate

Systemtic Name: 3-methylbutan-2-yl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate Openeye Name: 1,2-dimethylpropyl (2S)-2-cyano-2-fluoro-2-phenyl-acetate CAS Name: (2S)-2-cyano-2-fluoro-2-phenylacetic acid 3-methylbutan-2-yl ester IUPAC Name: 3-methylbutan-2-yl (2S)-2-cyano-2-fluoro-2-phenylacetate Traditional Name: (2S)-2-cyano-2-fluoro-2-phenyl-acetic acid 1,2-dimethylpropyl ester Formula: C14H16FNO2 MolecularWeight: 249.280743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)OC(=O)C(C#N)(C1=CC=CC=C1)F

Isomeric SMILES

CC(C)C(C)OC(=O)[C@@](C#N)(C1=CC=CC=C1)F

InChI

InChI=1S/C14H16FNO2/c1-10(2)11(3)18-13(17)14(15,9-16)12-7-5-4-6-8-12/h4-8,10-11H,1-3H3/t11?,14-/m1/s1