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

Systemtic Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Openeye Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate CAS Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]hexanoate IUPAC Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]hexanoate Traditional Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]hexanoate Formula: C17H20F3N3O4 MolecularWeight: 387.35361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N3O4/c1-4-5-6-10(15(24)25)21-14-9-7-12(26-2)13(27-3)8-11(9)22-16(23-14)17(18,19)20/h7-8,10H,4-6H2,1-3H3,(H,24,25)(H,21,22,23)/t10-/m0/s1