3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methoxycarbonylamino]-2-phenyl-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]methoxycarbonylamino]-2-phenyl-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxycarbonylamino]-2-isopropoxy-2-phenyl-propanoic acid CAS Name: 3-[[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy-oxomethyl]amino]-2-phenyl-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxycarbonylamino]-2-phenyl-2-propan-2-yloxypropanoic acid Traditional Name: 3-[[2-fluoro-4-(trifluoromethyl)benzyl]oxycarbonylamino]-2-isopropoxy-2-phenyl-propionic acid Formula: C21H21F4NO5 MolecularWeight: 443.388753

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(CNC(=O)OCC1=C(C=C(C=C1)C(F)(F)F)F)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)OC(CNC(=O)OCC1=C(C=C(C=C1)C(F)(F)F)F)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H21F4NO5/c1-13(2)31-20(18(27)28,15-6-4-3-5-7-15)12-26-19(29)30-11-14-8-9-16(10-17(14)22)21(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,29)(H,27,28)