3-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(2,4-dichlorophenyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(2,4-dichlorophenyl)quinazolin-4-yl]amino]benzoic acid Formula: C21H13Cl2N3O2 MolecularWeight: 410.25282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H13Cl2N3O2/c22-13-8-9-15(17(23)11-13)19-25-18-7-2-1-6-16(18)20(26-19)24-14-5-3-4-12(10-14)21(27)28/h1-11H,(H,27,28)(H,24,25,26)