2-methyl-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]isoquinolin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 2-methyl-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]isoquinolin-3-yl]carbonylamino]propanoic acid Openeye Name: 2-methyl-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]isoquinoline-3-carbonyl]amino]propanoic acid CAS Name: 2-methyl-2-[[oxo-[4-[[4-(trifluoromethyl)phenyl]methoxy]-3-isoquinolinyl]methyl]amino]propanoic acid IUPAC Name: 2-methyl-2-[[4-[[4-(trifluoromethyl)phenyl]methoxy]isoquinoline-3-carbonyl]amino]propanoic acid Traditional Name: 2-methyl-2-[[4-[4-(trifluoromethyl)benzyl]oxyisoquinoline-3-carbonyl]amino]propionic acid Formula: C22H19F3N2O4 MolecularWeight: 432.39247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=N1)OCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2C=N1)OCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H19F3N2O4/c1-21(2,20(29)30)27-19(28)17-18(16-6-4-3-5-14(16)11-26-17)31-12-13-7-9-15(10-8-13)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,28)(H,29,30)