[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C16H20BrFN2O5 MolecularWeight: 419.242803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C16H20BrFN2O5/c1-16(2,3)25-15(23)19-7-6-14(22)24-9-13(21)20-12-5-4-10(17)8-11(12)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,23)(H,20,21)