3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(morpholinomethyl)quinazolin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(4-morpholinylmethyl)-4-quinazolinyl]amino]benzoic acid IUPAC Name: 3-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(morpholinomethyl)quinazolin-4-yl]amino]benzoic acid Formula: C20H20N4O3 MolecularWeight: 364.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H20N4O3/c25-20(26)14-4-3-5-15(12-14)21-19-16-6-1-2-7-17(16)22-18(23-19)13-24-8-10-27-11-9-24/h1-7,12H,8-11,13H2,(H,25,26)(H,21,22,23)