(phenylmethyl) (2R)-3,3-bis(fluoranyl)-2-(phenylmethoxycarbonylamino)hex-5-enoate

Systemtic Name: (phenylmethyl) (2R)-3,3-bis(fluoranyl)-2-(phenylmethoxycarbonylamino)hex-5-enoate Openeye Name: benzyl (2R)-2-(benzyloxycarbonylamino)-3,3-difluoro-hex-5-enoate CAS Name: (2R)-3,3-difluoro-2-(phenylmethoxycarbonylamino)-5-hexenoic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-3,3-difluoro-2-(phenylmethoxycarbonylamino)hex-5-enoate Traditional Name: (2R)-2-(benzyloxycarbonylamino)-3,3-difluoro-hex-5-enoic acid benzyl ester Formula: C21H21F2NO4 MolecularWeight: 389.392546

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)(F)F

Isomeric SMILES

C=CCC([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)(F)F

InChI

InChI=1S/C21H21F2NO4/c1-2-13-21(22,23)18(19(25)27-14-16-9-5-3-6-10-16)24-20(26)28-15-17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,24,26)/t18-/m1/s1