ethyl 4-[4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxybutanoate

Systemtic Name: ethyl 4-[4-[(4-chloranyl-2-fluoranyl-phenyl)amino]-6-methoxy-quinazolin-7-yl]oxybutanoate Openeye Name: ethyl 4-[4-(4-chloro-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxybutanoate CAS Name: 4-[[4-(4-chloro-2-fluoroanilino)-6-methoxy-7-quinazolinyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate Traditional Name: 4-[4-(4-chloro-2-fluoro-anilino)-6-methoxy-quinazolin-7-yl]oxybutyric acid ethyl ester Formula: C21H21ClFN3O4 MolecularWeight: 433.860543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Cl)F)OC

InChI

InChI=1S/C21H21ClFN3O4/c1-3-29-20(27)5-4-8-30-19-11-17-14(10-18(19)28-2)21(25-12-24-17)26-16-7-6-13(22)9-15(16)23/h6-7,9-12H,3-5,8H2,1-2H3,(H,24,25,26)