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

Systemtic Name: 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxy-3-oxidanyl-butanoic acid Openeye Name: 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-3-hydroxy-butanoic acid CAS Name: 4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-3-hydroxybutanoic acid IUPAC Name: 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-3-hydroxybutanoic acid Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxy-3-hydroxy-butyric acid Formula: C19H17ClFN3O5 MolecularWeight: 421.806783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCC(CC(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCC(CC(=O)O)O

InChI

InChI=1S/C19H17ClFN3O5/c1-28-16-7-15-12(6-17(16)29-8-11(25)5-18(26)27)19(23-9-22-15)24-10-2-3-14(21)13(20)4-10/h2-4,6-7,9,11,25H,5,8H2,1H3,(H,26,27)(H,22,23,24)