4-[5-(3-chlorophenyl)-8-ethoxy-2-(methylamino)quinazolin-7-yl]benzoic acid

Systemtic Name: 4-[5-(3-chlorophenyl)-8-ethoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(3-chlorophenyl)-8-ethoxy-2-(methylamino)quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-chlorophenyl)-8-ethoxy-2-(methylamino)-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(3-chlorophenyl)-8-ethoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(3-chlorophenyl)-8-ethoxy-2-(methylamino)quinazolin-7-yl]benzoic acid Formula: C24H20ClN3O3 MolecularWeight: 433.8869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C2=CN=C(N=C21)NC)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C2=CN=C(N=C21)NC)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H20ClN3O3/c1-3-31-22-19(14-7-9-15(10-8-14)23(29)30)12-18(16-5-4-6-17(25)11-16)20-13-27-24(26-2)28-21(20)22/h4-13H,3H2,1-2H3,(H,29,30)(H,26,27,28)