2-[2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]acetyl]amino]acetic acid Formula: C14H13F3N4O4 MolecularWeight: 358.27263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCC(=O)NCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NCC(=O)NCC(=O)O

InChI

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