tert-butyl (4S)-2-cyano-4-(3-fluoranyl-4-phenyl-phenyl)-3-oxidanylidene-pentanoate

Systemtic Name: tert-butyl (4S)-2-cyano-4-(3-fluoranyl-4-phenyl-phenyl)-3-oxidanylidene-pentanoate Openeye Name: tert-butyl (4S)-2-cyano-4-(3-fluoro-4-phenyl-phenyl)-3-oxo-pentanoate CAS Name: (4S)-2-cyano-4-(3-fluoro-4-phenylphenyl)-3-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-2-cyano-4-(3-fluoro-4-phenylphenyl)-3-oxopentanoate Traditional Name: (4S)-2-cyano-4-(3-fluoro-4-phenyl-phenyl)-3-keto-valeric acid tert-butyl ester Formula: C22H22FNO3 MolecularWeight: 367.413383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FNO3/c1-14(20(25)18(13-24)21(26)27-22(2,3)4)16-10-11-17(19(23)12-16)15-8-6-5-7-9-15/h5-12,14,18H,1-4H3/t14-,18?/m0/s1