4-[5-(3-chloranyl-4-fluoranyl-phenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-(3-chloranyl-4-fluoranyl-phenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(3-chloro-4-fluoro-phenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-chloro-4-fluorophenyl)-8-methoxy-2-(methylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(3-chloro-4-fluorophenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(3-chloro-4-fluoro-phenyl)-8-methoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Formula: C23H17ClFN3O3 MolecularWeight: 437.850783

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CNC1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O3/c1-26-23-27-11-17-15(14-7-8-19(25)18(24)9-14)10-16(21(31-2)20(17)28-23)12-3-5-13(6-4-12)22(29)30/h3-11H,1-2H3,(H,29,30)(H,26,27,28)