4-chloranyl-3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-chloro-3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-chloro-3-[[7-methoxy-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-chloro-3-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C17H11ClF3N3O3 MolecularWeight: 397.73575

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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=CC(=C3)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF3N3O3/c1-27-9-3-4-10-12(7-9)23-16(17(19,20)21)24-14(10)22-13-6-8(15(25)26)2-5-11(13)18/h2-7H,1H3,(H,25,26)(H,22,23,24)