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

Systemtic Name: 4-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Openeye Name: 4-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid CAS Name: 4-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-7-quinazolinyl]benzoic acid IUPAC Name: 4-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxyquinazolin-7-yl]benzoic acid Traditional Name: 4-[5-(3-cyanophenyl)-2-(dimethylamino)-8-methoxy-quinazolin-7-yl]benzoic acid Formula: C25H20N4O3 MolecularWeight: 424.4513

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)C1=NC=C2C(=CC(=C(C2=N1)OC)C3=CC=C(C=C3)C(=O)O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H20N4O3/c1-29(2)25-27-14-21-19(18-6-4-5-15(11-18)13-26)12-20(23(32-3)22(21)28-25)16-7-9-17(10-8-16)24(30)31/h4-12,14H,1-3H3,(H,30,31)