(5-cyano-2-fluoranyl-phenyl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (5-cyano-2-fluoro-benzyl) ester Formula: C25H21FN2O4 MolecularWeight: 432.443643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=C(C=CC(=C2)C#N)F)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=C(C=CC(=C2)C#N)F)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H21FN2O4/c26-22-12-11-20(15-27)13-21(22)17-31-24(29)23(14-18-7-3-1-4-8-18)28-25(30)32-16-19-9-5-2-6-10-19/h1-13,23H,14,16-17H2,(H,28,30)/t23-/m0/s1