11-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]undecanoic acid

Systemtic Name: 11-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]undecanoic acid Openeye Name: 11-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]undecanoic acid CAS Name: 11-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]undecanoic acid IUPAC Name: 11-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]undecanoic acid Traditional Name: 11-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]undecanoic acid Formula: C22H30F3N3O4 MolecularWeight: 457.48651

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCCCCCCCCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)NCCCCCCCCCCC(=O)O)OC

InChI

InChI=1S/C22H30F3N3O4/c1-31-17-13-15-16(14-18(17)32-2)27-21(22(23,24)25)28-20(15)26-12-10-8-6-4-3-5-7-9-11-19(29)30/h13-14H,3-12H2,1-2H3,(H,29,30)(H,26,27,28)