4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate

Systemtic Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate Openeye Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate CAS Name: 4-[[2-(trifluoromethyl)-4-quinazolinyl]amino]butanoate IUPAC Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butanoate Traditional Name: 4-[[2-(trifluoromethyl)quinazolin-4-yl]amino]butyrate Formula: C13H11F3N3O2- MolecularWeight: 298.24055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCC(=O)[O-]

InChI

InChI=1S/C13H12F3N3O2/c14-13(15,16)12-18-9-5-2-1-4-8(9)11(19-12)17-7-3-6-10(20)21/h1-2,4-5H,3,6-7H2,(H,20,21)(H,17,18,19)/p-1