(2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanedioic acid

Systemtic Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanedioic acid Openeye Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanedioic acid CAS Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]pentanedioic acid IUPAC Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]pentanedioic acid Traditional Name: (2R)-2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]glutaric acid Formula: C15H14F3N3O4 MolecularWeight: 357.28457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC(CCC(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2N[C@H](CCC(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O4/c1-7-2-3-9-8(6-7)12(21-14(20-9)15(16,17)18)19-10(13(24)25)4-5-11(22)23/h2-3,6,10H,4-5H2,1H3,(H,22,23)(H,24,25)(H,19,20,21)/t10-/m1/s1