[(2S)-4-cyano-1-phenyl-butan-2-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [(2S)-4-cyano-1-phenyl-butan-2-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [(1S)-1-benzyl-3-cyano-propyl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [(2S)-4-cyano-1-phenylbutan-2-yl] ester IUPAC Name: [(2S)-4-cyano-1-phenylbutan-2-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [(1S)-1-benzyl-3-cyano-propyl] ester Formula: C21H20F3NO3 MolecularWeight: 391.38361

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC=CC=C1)(C(=O)OC(CCC#N)CC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

COC(C1=CC=CC=C1)(C(=O)O[C@@H](CCC#N)CC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C21H20F3NO3/c1-27-20(21(22,23)24,17-11-6-3-7-12-17)19(26)28-18(13-8-14-25)15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13,15H2,1H3/t18-,20?/m0/s1