4-[4-(4-bromanyl-2-fluoranyl-phenoxy)-3-cyano-6-methoxy-quinolin-7-yl]oxy-3-oxidanyl-butanoic acid

Systemtic Name: 4-[4-(4-bromanyl-2-fluoranyl-phenoxy)-3-cyano-6-methoxy-quinolin-7-yl]oxy-3-oxidanyl-butanoic acid Openeye Name: 4-[[4-(4-bromo-2-fluoro-phenoxy)-3-cyano-6-methoxy-7-quinolyl]oxy]-3-hydroxy-butanoic acid CAS Name: 4-[[4-(4-bromo-2-fluorophenoxy)-3-cyano-6-methoxy-7-quinolinyl]oxy]-3-hydroxybutanoic acid IUPAC Name: 4-[4-(4-bromo-2-fluorophenoxy)-3-cyano-6-methoxyquinolin-7-yl]oxy-3-hydroxybutanoic acid Traditional Name: 4-[[4-(4-bromo-2-fluoro-phenoxy)-3-cyano-6-methoxy-7-quinolyl]oxy]-3-hydroxy-butyric acid Formula: C21H16BrFN2O6 MolecularWeight: 491.263943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)OC3=C(C=C(C=C3)Br)F)OCC(CC(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)OC3=C(C=C(C=C3)Br)F)OCC(CC(=O)O)O

InChI

InChI=1S/C21H16BrFN2O6/c1-29-18-6-14-16(7-19(18)30-10-13(26)5-20(27)28)25-9-11(8-24)21(14)31-17-3-2-12(22)4-15(17)23/h2-4,6-7,9,13,26H,5,10H2,1H3,(H,27,28)