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

Systemtic Name: 4-[2-azanyl-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]benzoic acid Openeye Name: 4-[2-amino-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]benzoic acid CAS Name: 4-[2-amino-5-(3-chlorophenyl)-8-methoxy-7-quinazolinyl]benzoic acid IUPAC Name: 4-[2-amino-5-(3-chlorophenyl)-8-methoxyquinazolin-7-yl]benzoic acid Traditional Name: 4-[2-amino-5-(3-chlorophenyl)-8-methoxy-quinazolin-7-yl]benzoic acid Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=CN=C(N=C21)N)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C2=CN=C(N=C21)N)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16ClN3O3/c1-29-20-17(12-5-7-13(8-6-12)21(27)28)10-16(14-3-2-4-15(23)9-14)18-11-25-22(24)26-19(18)20/h2-11H,1H3,(H,27,28)(H2,24,25,26)