2-phenylpropyl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate

Systemtic Name: 2-phenylpropyl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate Openeye Name: 2-phenylpropyl (2S)-2-cyano-2-fluoro-2-phenyl-acetate CAS Name: (2S)-2-cyano-2-fluoro-2-phenylacetic acid 2-phenylpropyl ester IUPAC Name: 2-phenylpropyl (2S)-2-cyano-2-fluoro-2-phenylacetate Traditional Name: (2S)-2-cyano-2-fluoro-2-phenyl-acetic acid 2-phenylpropyl ester Formula: C18H16FNO2 MolecularWeight: 297.323543

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C#N)(C1=CC=CC=C1)F)C2=CC=CC=C2

Isomeric SMILES

CC(COC(=O)[C@@](C#N)(C1=CC=CC=C1)F)C2=CC=CC=C2

InChI

InChI=1S/C18H16FNO2/c1-14(15-8-4-2-5-9-15)12-22-17(21)18(19,13-20)16-10-6-3-7-11-16/h2-11,14H,12H2,1H3/t14?,18-/m1/s1