tert-butyl 3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylate CAS Name: 3-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidine-1-carboxylate Traditional Name: 3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C25H28ClFN4O4 MolecularWeight: 502.965623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OC

InChI

InChI=1S/C25H28ClFN4O4/c1-25(2,3)35-24(32)31-9-5-6-16(13-31)34-22-11-17-20(12-21(22)33-4)28-14-29-23(17)30-15-7-8-19(27)18(26)10-15/h7-8,10-12,14,16H,5-6,9,13H2,1-4H3,(H,28,29,30)