[4-[(2-bromanyl-5-methoxy-phenyl)amino]-5-(oxan-4-yloxy)quinazolin-7-yl] ethanoate hydrochloride

Systemtic Name: [4-[(2-bromanyl-5-methoxy-phenyl)amino]-5-(oxan-4-yloxy)quinazolin-7-yl] ethanoate hydrochloride Openeye Name: [4-(2-bromo-5-methoxy-anilino)-5-tetrahydropyran-4-yloxy-quinazolin-7-yl] acetate hydrochloride CAS Name: acetic acid [4-(2-bromo-5-methoxyanilino)-5-(4-oxanyloxy)-7-quinazolinyl] ester hydrochloride IUPAC Name: [4-(2-bromo-5-methoxyanilino)-5-(oxan-4-yloxy)quinazolin-7-yl] acetate hydrochloride Traditional Name: acetic acid [4-(2-bromo-5-methoxy-anilino)-5-tetrahydropyran-4-yloxy-quinazolin-7-yl] ester hydrochloride Formula: C22H23BrClN3O5 MolecularWeight: 524.79212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC(=C3)OC)Br)OC4CCOCC4.Cl

Isomeric SMILES

CC(=O)OC1=CC(=C2C(=C1)N=CN=C2NC3=C(C=CC(=C3)OC)Br)OC4CCOCC4.Cl

InChI

InChI=1S/C22H22BrN3O5.ClH/c1-13(27)30-16-10-19-21(20(11-16)31-14-5-7-29-8-6-14)22(25-12-24-19)26-18-9-15(28-2)3-4-17(18)23;/h3-4,9-12,14H,5-8H2,1-2H3,(H,24,25,26);1H