4-[[6-chloranyl-2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-chloranyl-2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-chloro-2-(p-tolyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 4-[[6-chloro-2-(4-methylphenyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 4-[[6-chloro-2-(4-methylphenyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-chloro-2-(p-tolyl)quinazolin-4-yl]amino]benzoic acid Formula: C22H16ClN3O2 MolecularWeight: 389.83434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16ClN3O2/c1-13-2-4-14(5-3-13)20-25-19-11-8-16(23)12-18(19)21(26-20)24-17-9-6-15(7-10-17)22(27)28/h2-12H,1H3,(H,27,28)(H,24,25,26)