4-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-oxidanyl-butanoic acid

Systemtic Name: 4-[4-[(4-bromanyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxy-3-oxidanyl-butanoic acid Openeye Name: 4-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-hydroxy-butanoic acid CAS Name: 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]-3-hydroxybutanoic acid IUPAC Name: 4-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-3-hydroxybutanoic acid Traditional Name: 4-[4-(4-bromo-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxy-3-hydroxy-butyric acid Formula: C19H17BrFN3O5 MolecularWeight: 466.257783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CC(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC(CC(=O)O)O

InChI

InChI=1S/C19H17BrFN3O5/c1-28-16-6-12-15(7-17(16)29-8-11(25)5-18(26)27)22-9-23-19(12)24-14-3-2-10(20)4-13(14)21/h2-4,6-7,9,11,25H,5,8H2,1H3,(H,26,27)(H,22,23,24)