(4-azanylquinazolin-2-yl)methyl 4-[bis(fluoranyl)methoxy]benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-[bis(fluoranyl)methoxy]benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-(difluoromethoxy)benzoate CAS Name: 4-(difluoromethoxy)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-(difluoromethoxy)benzoate Traditional Name: 4-(difluoromethoxy)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C17H13F2N3O3 MolecularWeight: 345.300226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=C(C=C3)OC(F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)COC(=O)C3=CC=C(C=C3)OC(F)F)N

InChI

InChI=1S/C17H13F2N3O3/c18-17(19)25-11-7-5-10(6-8-11)16(23)24-9-14-21-13-4-2-1-3-12(13)15(20)22-14/h1-8,17H,9H2,(H2,20,21,22)