(2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]propanoate CAS Name: (2R)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]propanoate IUPAC Name: (2R)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]propanoate Traditional Name: (2R)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]propionate Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)[NH2+]C(CO)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)[NH2+][C@H](CO)C(=O)[O-]

InChI

InChI=1S/C13H12F3N3O4/c1-23-6-2-3-7-8(4-6)18-12(13(14,15)16)19-10(7)17-9(5-20)11(21)22/h2-4,9,20H,5H2,1H3,(H,21,22)(H,17,18,19)/t9-/m1/s1