(2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-propanoate

Systemtic Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-oxidanyl-propanoate Openeye Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-hydroxy-propanoate CAS Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]ammonio]-3-hydroxypropanoate IUPAC Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]azaniumyl]-3-hydroxypropanoate Traditional Name: (2R)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]ammonio]-3-hydroxy-propionate Formula: C14H14F3N3O5 MolecularWeight: 361.27327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+]C(CO)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)[NH2+][C@H](CO)C(=O)[O-])OC

InChI

InChI=1S/C14H14F3N3O5/c1-24-9-3-6-7(4-10(9)25-2)19-13(14(15,16)17)20-11(6)18-8(5-21)12(22)23/h3-4,8,21H,5H2,1-2H3,(H,22,23)(H,18,19,20)/t8-/m1/s1