3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoic acid Openeye Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoic acid Traditional Name: 3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid Formula: C20H14N4O2 MolecularWeight: 342.35076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H14N4O2/c25-20(26)13-5-3-7-15(11-13)22-19-16-8-1-2-9-17(16)23-18(24-19)14-6-4-10-21-12-14/h1-12H,(H,25,26)(H,22,23,24)