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

Systemtic Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methyl-pentanoate Openeye Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-4-methyl-pentanoate CAS Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-4-methylpentanoate IUPAC Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-4-methylpentanoate Traditional Name: (2R)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-4-methyl-valerate Formula: C16H18F3N3O3 MolecularWeight: 357.32763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=CC(=C2)OC)C(F)(F)F

Isomeric SMILES

CC(C)C[C@H](C(=O)[O-])[NH2+]C1=NC(=NC2=C1C=CC(=C2)OC)C(F)(F)F

InChI

InChI=1S/C16H18F3N3O3/c1-8(2)6-12(14(23)24)20-13-10-5-4-9(25-3)7-11(10)21-15(22-13)16(17,18)19/h4-5,7-8,12H,6H2,1-3H3,(H,23,24)(H,20,21,22)/t12-/m1/s1