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

Systemtic Name: 2,2-diethyl-4-[[3-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]-methyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[3-[(7-fluoro-2-quinolyl)methoxy]-N-methyl-anilino]-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-[3-[(7-fluoro-2-quinolinyl)methoxy]-N-methylanilino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-[3-[(7-fluoroquinolin-2-yl)methoxy]-N-methylanilino]-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-[3-[(7-fluoro-2-quinolyl)methoxy]-N-methyl-anilino]-4-keto-butyric acid Formula: C25H27FN2O4 MolecularWeight: 438.491283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27FN2O4/c1-4-25(5-2,24(30)31)15-23(29)28(3)20-7-6-8-21(14-20)32-16-19-12-10-17-9-11-18(26)13-22(17)27-19/h6-14H,4-5,15-16H2,1-3H3,(H,30,31)