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

Systemtic Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylmethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylmethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylmethylamino)-8-methoxy-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylmethylamino)-8-methoxyquinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(3-chlorophenyl)-2-(cyclopropylmethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CN=C(N=C21)NCC3CC3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CN=C(N=C21)NCC3CC3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H22ClN3O3/c1-33-24-21(16-7-9-17(10-8-16)25(31)32)12-20(18-3-2-4-19(27)11-18)22-14-29-26(30-23(22)24)28-13-15-5-6-15/h2-4,7-12,14-15H,5-6,13H2,1H3,(H,31,32)(H,28,29,30)