3-[[3-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]amino]-2,2-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[3-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]amino]-2,2-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[3-[(7-fluoro-2-quinolyl)methoxy]anilino]-2,2-dimethyl-4-oxo-butanoic acid CAS Name: 3-[3-[(7-fluoro-2-quinolinyl)methoxy]anilino]-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 3-[3-[(7-fluoroquinolin-2-yl)methoxy]anilino]-2,2-dimethyl-4-oxobutanoic acid Traditional Name: 3-[3-[(7-fluoro-2-quinolyl)methoxy]anilino]-4-keto-2,2-dimethyl-butyric acid Formula: C22H21FN2O4 MolecularWeight: 396.411543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)F)C=C2)C(=O)O

Isomeric SMILES

CC(C)(C(C=O)NC1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)F)C=C2)C(=O)O

InChI

InChI=1S/C22H21FN2O4/c1-22(2,21(27)28)20(12-26)25-16-4-3-5-18(11-16)29-13-17-9-7-14-6-8-15(23)10-19(14)24-17/h3-12,20,25H,13H2,1-2H3,(H,27,28)