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

Systemtic Name: 5-chloranyl-2-methoxy-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[6-methyl-2-(trifluoromethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]benzoic acid Formula: C18H13ClF3N3O3 MolecularWeight: 411.76233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2NC3=C(C=C(C(=C3)OC)C(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N3O3/c1-8-3-4-12-9(5-8)15(25-17(24-12)18(20,21)22)23-13-7-14(28-2)10(16(26)27)6-11(13)19/h3-7H,1-2H3,(H,26,27)(H,23,24,25)