3-phenylbutyl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate

Systemtic Name: 3-phenylbutyl (2S)-2-cyano-2-fluoranyl-2-phenyl-ethanoate Openeye Name: 3-phenylbutyl (2S)-2-cyano-2-fluoro-2-phenyl-acetate CAS Name: (2S)-2-cyano-2-fluoro-2-phenylacetic acid 3-phenylbutyl ester IUPAC Name: 3-phenylbutyl (2S)-2-cyano-2-fluoro-2-phenylacetate Traditional Name: (2S)-2-cyano-2-fluoro-2-phenyl-acetic acid 3-phenylbutyl ester Formula: C19H18FNO2 MolecularWeight: 311.350123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FNO2/c1-15(16-8-4-2-5-9-16)12-13-23-18(22)19(20,14-21)17-10-6-3-7-11-17/h2-11,15H,12-13H2,1H3/t15?,19-/m1/s1