(2S)-1-[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[6-bromanyl-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[6-bromo-2-(trifluoromethyl)-4-quinazolinyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]proline Formula: C14H11BrF3N3O2 MolecularWeight: 390.15525

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C2=NC(=NC3=C2C=C(C=C3)Br)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H11BrF3N3O2/c15-7-3-4-9-8(6-7)11(20-13(19-9)14(16,17)18)21-5-1-2-10(21)12(22)23/h3-4,6,10H,1-2,5H2,(H,22,23)/t10-/m0/s1