2-[1-oxidanylidene-6-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydroisoquinolin-2-yl]propanoic acid

Systemtic Name: 2-[1-oxidanylidene-6-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 2-[1-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 2-[1-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 2-[1-oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 2-[1-keto-6-[4-(trifluoromethyl)benzyl]oxy-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C20H18F3NO4 MolecularWeight: 393.35643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)O)N1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3NO4/c1-12(19(26)27)24-9-8-14-10-16(6-7-17(14)18(24)25)28-11-13-2-4-15(5-3-13)20(21,22)23/h2-7,10,12H,8-9,11H2,1H3,(H,26,27)