methyl (4S)-4-cyano-4-(2-cyano-3-fluoranyl-phenyl)-4-phenyl-butanoate

Systemtic Name: methyl (4S)-4-cyano-4-(2-cyano-3-fluoranyl-phenyl)-4-phenyl-butanoate Openeye Name: methyl (4S)-4-cyano-4-(2-cyano-3-fluoro-phenyl)-4-phenyl-butanoate CAS Name: (4S)-4-cyano-4-(2-cyano-3-fluorophenyl)-4-phenylbutanoic acid methyl ester IUPAC Name: methyl (4S)-4-cyano-4-(2-cyano-3-fluorophenyl)-4-phenylbutanoate Traditional Name: (4S)-4-cyano-4-(2-cyano-3-fluoro-phenyl)-4-phenyl-butyric acid methyl ester Formula: C19H15FN2O2 MolecularWeight: 322.333003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN2O2/c1-24-18(23)10-11-19(13-22,14-6-3-2-4-7-14)16-8-5-9-17(20)15(16)12-21/h2-9H,10-11H2,1H3/t19-/m0/s1