(2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-ethanoate Openeye Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-phenylacetate IUPAC Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-phenyl-acetate Formula: C19H15F3N3O4- MolecularWeight: 406.33531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NC(C3=CC=CC=C3)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N[C@@H](C3=CC=CC=C3)C(=O)[O-])OC

InChI

InChI=1S/C19H16F3N3O4/c1-28-13-8-11-12(9-14(13)29-2)23-18(19(20,21)22)25-16(11)24-15(17(26)27)10-6-4-3-5-7-10/h3-9,15H,1-2H3,(H,26,27)(H,23,24,25)/p-1/t15-/m0/s1