2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-(carboxymethyl)amino]acetic acid CAS Name: 2-[[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]-(carboxymethyl)amino]acetic acid Formula: C13H9BrF3N3O4 MolecularWeight: 408.12747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)N(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=NC(=N2)C(F)(F)F)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C13H9BrF3N3O4/c14-6-1-2-8-7(3-6)11(19-12(18-8)13(15,16)17)20(4-9(21)22)5-10(23)24/h1-3H,4-5H2,(H,21,22)(H,23,24)