[(2R)-4-(bromomethyl)-5,5,5-tris(fluoranyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate

Systemtic Name: [(2R)-4-(bromomethyl)-5,5,5-tris(fluoranyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate Openeye Name: [(2R)-4-(bromomethyl)-2-(tert-butoxycarbonylamino)-5,5,5-trifluoro-pentyl] benzoate CAS Name: benzoic acid [(2R)-4-(bromomethyl)-5,5,5-trifluoro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl] ester IUPAC Name: [(2R)-4-(bromomethyl)-5,5,5-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] benzoate Traditional Name: benzoic acid [(2R)-4-(bromomethyl)-2-(tert-butoxycarbonylamino)-5,5,5-trifluoro-pentyl] ester Formula: C18H23BrF3NO4 MolecularWeight: 454.27873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(CBr)C(F)(F)F)COC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC(CBr)C(F)(F)F)COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H23BrF3NO4/c1-17(2,3)27-16(25)23-14(9-13(10-19)18(20,21)22)11-26-15(24)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,23,25)/t13?,14-/m1/s1