(2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate

Systemtic Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Openeye Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]pentanedioate CAS Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]pentanedioate IUPAC Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]pentanedioate Traditional Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]glutarate Formula: C15H13F3N3O5- MolecularWeight: 372.27603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14F3N3O5/c1-26-7-2-3-8-10(6-7)20-14(15(16,17)18)21-12(8)19-9(13(24)25)4-5-11(22)23/h2-3,6,9H,4-5H2,1H3,(H,22,23)(H,24,25)(H,19,20,21)/p-1/t9-/m1/s1