ethyl 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxybutanoate

Systemtic Name: ethyl 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxybutanoate Openeye Name: ethyl 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxybutanoate CAS Name: 4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxybutanoate Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-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)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

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