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

Systemtic Name: 5-chloranyl-2-methoxy-4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C18H13ClF3N3O4 MolecularWeight: 427.76173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NC(=N2)C(F)(F)F)NC3=C(C=C(C(=C3)OC)C(=O)O)Cl

InChI

InChI=1S/C18H13ClF3N3O4/c1-28-8-3-4-9-12(5-8)24-17(18(20,21)22)25-15(9)23-13-7-14(29-2)10(16(26)27)6-11(13)19/h3-7H,1-2H3,(H,26,27)(H,23,24,25)