ethyl 5-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypentanoate

Systemtic Name: ethyl 5-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypentanoate Openeye Name: ethyl 5-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypentanoate CAS Name: 5-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypentanoate Traditional Name: 5-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxyvaleric acid ethyl ester Formula: C22H23ClFN3O4 MolecularWeight: 447.887123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

CCOC(=O)CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C22H23ClFN3O4/c1-3-30-21(28)6-4-5-9-31-20-11-15-18(12-19(20)29-2)25-13-26-22(15)27-14-7-8-17(24)16(23)10-14/h7-8,10-13H,3-6,9H2,1-2H3,(H,25,26,27)