(2S)-3-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Openeye Name: (2S)-3-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate CAS Name: (2S)-3-phenyl-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]propanoate IUPAC Name: (2S)-3-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]propionate Formula: C18H13F3N3O2- MolecularWeight: 360.30993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O2/c19-18(20,21)17-23-13-9-5-4-8-12(13)15(24-17)22-14(16(25)26)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,25,26)(H,22,23,24)/p-1/t14-/m0/s1