4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoic acid hydrochloride CAS Name: 4-[[2-(4-chlorophenyl)-4-quinazolinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 4-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]benzoic acid hydrochloride Formula: C21H15Cl2N3O2 MolecularWeight: 412.2687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O2.ClH/c22-15-9-5-13(6-10-15)19-24-18-4-2-1-3-17(18)20(25-19)23-16-11-7-14(8-12-16)21(26)27;/h1-12H,(H,26,27)(H,23,24,25);1H