3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate

Systemtic Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Openeye Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate CAS Name: 3-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]propanoate IUPAC Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Traditional Name: 3-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]propionate Formula: C13H11F3N3O2- MolecularWeight: 298.24055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NCCC(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NCCC(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2/c1-7-2-3-9-8(6-7)11(17-5-4-10(20)21)19-12(18-9)13(14,15)16/h2-3,6H,4-5H2,1H3,(H,20,21)(H,17,18,19)/p-1