5-chloranyl-4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methoxy-benzoic acid Openeye Name: 5-chloro-4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methoxy-benzoic acid CAS Name: 5-chloro-4-[[6,7-dimethoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]-2-methoxybenzoic acid IUPAC Name: 5-chloro-4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methoxybenzoic acid Traditional Name: 5-chloro-4-[[6,7-dimethoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]-2-methoxy-benzoic acid Formula: C19H15ClF3N3O5 MolecularWeight: 457.78771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C(F)(F)F

InChI

InChI=1S/C19H15ClF3N3O5/c1-29-13-7-12(10(20)4-9(13)17(27)28)24-16-8-5-14(30-2)15(31-3)6-11(8)25-18(26-16)19(21,22)23/h4-7H,1-3H3,(H,27,28)(H,24,25,26)