(2R,3S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: (2R,3S)-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: (2R,3S)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butanoate CAS Name: (2R,3S)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]butanoate IUPAC Name: (2R,3S)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]butanoate Traditional Name: (2R,3S)-3-hydroxy-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]butyrate Formula: C14H14F3N3O4 MolecularWeight: 345.27387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N3O4/c1-6(21)10(12(22)23)19-11-8-4-3-7(24-2)5-9(8)18-13(20-11)14(15,16)17/h3-6,10,21H,1-2H3,(H,22,23)(H,18,19,20)/t6-,10+/m0/s1