(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-(3-cyclopropyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-cyclopropyl-4-oxo-2-quinazolinyl)propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(3-cyclopropyl-4-keto-quinazolin-2-yl)propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C21H18BrFN2O3 MolecularWeight: 445.281623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CC1N2C(=NC3=CC=CC=C3C2=O)CCC(=O)OCC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H18BrFN2O3/c22-14-6-5-13(17(23)11-14)12-28-20(26)10-9-19-24-18-4-2-1-3-16(18)21(27)25(19)15-7-8-15/h1-6,11,15H,7-10,12H2