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

Systemtic Name: 2-[6-[(4-fluorophenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]-2-methyl-propanoic acid Openeye Name: 2-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-2-methyl-propanoic acid CAS Name: 2-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-2-methylpropanoic acid IUPAC Name: 2-[6-[(4-fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-2-methylpropanoic acid Traditional Name: 2-[6-(4-fluorobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]-2-methyl-propionic acid Formula: C20H20FNO4 MolecularWeight: 357.375503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FNO4/c1-20(2,19(24)25)22-10-9-14-11-16(7-8-17(14)18(22)23)26-12-13-3-5-15(21)6-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,24,25)