[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C26H24FNO6 MolecularWeight: 465.470263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H24FNO6/c1-32-24-13-12-20(27)15-21(24)23(29)17-33-25(30)22(14-18-8-4-2-5-9-18)28-26(31)34-16-19-10-6-3-7-11-19/h2-13,15,22H,14,16-17H2,1H3,(H,28,31)/t22-/m0/s1