(2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]propanoate

Systemtic Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]propanoate Openeye Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]propanoate CAS Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]propanoate IUPAC Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]propanoate Traditional Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]propionate Formula: C13H12F3N3O3 MolecularWeight: 315.24789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=CC(=C2)OC)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=CC(=C2)OC)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O3/c1-6(11(20)21)17-10-8-4-3-7(22-2)5-9(8)18-12(19-10)13(14,15)16/h3-6H,1-2H3,(H,20,21)(H,17,18,19)/t6-/m1/s1