(2R)-4-azanyl-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-azanyl-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-amino-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxo-butanoate CAS Name: (2R)-4-amino-2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-4-oxobutanoate IUPAC Name: (2R)-4-amino-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-4-oxobutanoate Traditional Name: (2R)-4-amino-4-keto-2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]butyrate Formula: C14H12F3N4O4- MolecularWeight: 357.26469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC(CC(=O)N)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)N[C@H](CC(=O)N)C(=O)[O-]

InChI

InChI=1S/C14H13F3N4O4/c1-25-6-2-3-7-8(4-6)20-13(14(15,16)17)21-11(7)19-9(12(23)24)5-10(18)22/h2-4,9H,5H2,1H3,(H2,18,22)(H,23,24)(H,19,20,21)/p-1/t9-/m1/s1