(2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid Openeye Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid CAS Name: (2S)-2-[[2-(trifluoromethyl)-4-quinazolinyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanedioic acid Traditional Name: (2S)-2-[[2-(trifluoromethyl)quinazolin-4-yl]amino]succinic acid Formula: C13H10F3N3O4 MolecularWeight: 329.23141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)N[C@@H](CC(=O)O)C(=O)O

InChI

InChI=1S/C13H10F3N3O4/c14-13(15,16)12-18-7-4-2-1-3-6(7)10(19-12)17-8(11(22)23)5-9(20)21/h1-4,8H,5H2,(H,20,21)(H,22,23)(H,17,18,19)/t8-/m0/s1