2,2,2-tris(fluoranyl)ethyl 3-(2-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 3-(2-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2,2,2-trifluoroethyl 2-(benzyloxycarbonylamino)-3-(2-bromophenyl)propanoate CAS Name: 3-(2-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 3-(2-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(2-bromophenyl)propionic acid 2,2,2-trifluoroethyl ester Formula: C19H17BrF3NO4 MolecularWeight: 460.24179

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=CC=C2Br)C(=O)OCC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CC=CC=C2Br)C(=O)OCC(F)(F)F

InChI

InChI=1S/C19H17BrF3NO4/c20-15-9-5-4-8-14(15)10-16(17(25)28-12-19(21,22)23)24-18(26)27-11-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H,24,26)