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

Systemtic Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Openeye Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanedioate CAS Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanedioate IUPAC Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Traditional Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]glutarate Formula: C16H15F3N3O6- MolecularWeight: 402.30201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3O6/c1-27-10-5-7-9(6-11(10)28-2)21-15(16(17,18)19)22-13(7)20-8(14(25)26)3-4-12(23)24/h5-6,8H,3-4H2,1-2H3,(H,23,24)(H,25,26)(H,20,21,22)/p-1/t8-/m1/s1