(2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate

Systemtic Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Openeye Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butyrate Formula: C15H16F3N3O4 MolecularWeight: 359.30045

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])[NH2+]C1=NC(=NC2=CC(=C(C=C21)OC)OC)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)[O-])[NH2+]C1=NC(=NC2=CC(=C(C=C21)OC)OC)C(F)(F)F

InChI

InChI=1S/C15H16F3N3O4/c1-4-8(13(22)23)19-12-7-5-10(24-2)11(25-3)6-9(7)20-14(21-12)15(16,17)18/h5-6,8H,4H2,1-3H3,(H,22,23)(H,19,20,21)/t8-/m0/s1