tert-butyl 2-[3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl-[(2R)-2-oxidanylpropyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[3-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxypropyl-[(2R)-2-oxidanylpropyl]amino]ethanoate Openeye Name: tert-butyl 2-[3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl-[(2R)-2-hydroxypropyl]amino]acetate CAS Name: 2-[3-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]oxy]propyl-[(2R)-2-hydroxypropyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl-[(2R)-2-hydroxypropyl]amino]acetate Traditional Name: 2-[3-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxypropyl-[(2R)-2-hydroxypropyl]amino]acetic acid tert-butyl ester Formula: C27H34ClFN4O5 MolecularWeight: 549.034063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CN(CCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC)CC(=O)OC(C)(C)C)O

InChI

InChI=1S/C27H34ClFN4O5/c1-17(34)14-33(15-25(35)38-27(2,3)4)9-6-10-37-24-12-19-22(13-23(24)36-5)30-16-31-26(19)32-18-7-8-21(29)20(28)11-18/h7-8,11-13,16-17,34H,6,9-10,14-15H2,1-5H3,(H,30,31,32)/t17-/m1/s1