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

Systemtic Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylamino)-8-methoxy-quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylamino)-8-methoxy-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylamino)-8-methoxyquinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Formula: C25H20ClN3O3 MolecularWeight: 445.8976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CN=C(N=C21)NC3CC3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CN=C(N=C21)NC3CC3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C25H20ClN3O3/c1-32-23-20(14-5-7-15(8-6-14)24(30)31)12-19(16-3-2-4-17(26)11-16)21-13-27-25(29-22(21)23)28-18-9-10-18/h2-8,11-13,18H,9-10H2,1H3,(H,30,31)(H,27,28,29)