4-methylhexyl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate

Systemtic Name: 4-methylhexyl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate Openeye Name: 4-methylhexyl (2S)-2-cyano-2-fluoro-2-phenyl-acetate CAS Name: (2S)-2-cyano-2-fluoro-2-phenylacetic acid 4-methylhexyl ester IUPAC Name: 4-methylhexyl (2S)-2-cyano-2-fluoro-2-phenylacetate Traditional Name: (2S)-2-cyano-2-fluoro-2-phenyl-acetic acid 4-methylhexyl ester Formula: C16H20FNO2 MolecularWeight: 277.333903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCOC(=O)C(C#N)(C1=CC=CC=C1)F

Isomeric SMILES

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

InChI

InChI=1S/C16H20FNO2/c1-3-13(2)8-7-11-20-15(19)16(17,12-18)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11H2,1-2H3/t13?,16-/m1/s1