(2S,3S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-methyl-valerate Formula: C16H18F3N3O3 MolecularWeight: 357.32763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3N3O3/c1-4-8(2)12(14(23)24)21-13-10-6-5-9(25-3)7-11(10)20-15(22-13)16(17,18)19/h5-8,12H,4H2,1-3H3,(H,23,24)(H,20,21,22)/t8-,12-/m0/s1