(2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanedioate

Systemtic Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanedioate Openeye Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butanedioate CAS Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]butanedioate IUPAC Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanedioate Traditional Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]succinate Formula: C15H13F3N3O6- MolecularWeight: 388.27543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+]C(CC(=O)[O-])C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+][C@H](CC(=O)[O-])C(=O)[O-])OC

InChI

InChI=1S/C15H14F3N3O6/c1-26-9-3-6-7(4-10(9)27-2)20-14(15(16,17)18)21-12(6)19-8(13(24)25)5-11(22)23/h3-4,8H,5H2,1-2H3,(H,22,23)(H,24,25)(H,19,20,21)/p-1/t8-/m1/s1