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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N3O4/c1-8(2)5-11(15(24)25)21-14-9-6-12(26-3)13(27-4)7-10(9)22-16(23-14)17(18,19)20/h6-8,11H,5H2,1-4H3,(H,24,25)(H,21,22,23)/t11-/m1/s1