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

Systemtic Name: ethyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxyhexanoate Openeye Name: ethyl 6-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxyhexanoate CAS Name: 6-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxyhexanoate Traditional Name: 6-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxyhexanoic acid ethyl ester Formula: C23H25ClFN3O4 MolecularWeight: 461.913703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

CCOC(=O)CCCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C23H25ClFN3O4/c1-3-31-22(29)7-5-4-6-10-32-21-12-16-19(13-20(21)30-2)26-14-27-23(16)28-15-8-9-18(25)17(24)11-15/h8-9,11-14H,3-7,10H2,1-2H3,(H,26,27,28)