2-[4-[[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(2-chloranyl-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(2-chloro-6,7-dimethoxy-4-quinazolinyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(2-chloro-6,7-dimethoxy-quinazolin-4-yl)amino]methyl]phenyl]benzoic acid Formula: C24H20ClN3O4 MolecularWeight: 449.8863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)OC

InChI

InChI=1S/C24H20ClN3O4/c1-31-20-11-18-19(12-21(20)32-2)27-24(25)28-22(18)26-13-14-7-9-15(10-8-14)16-5-3-4-6-17(16)23(29)30/h3-12H,13H2,1-2H3,(H,29,30)(H,26,27,28)