3-[[7-chloranyl-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]propanoic acid

Systemtic Name: 3-[[7-chloranyl-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]propanoic acid Openeye Name: 3-[[7-chloro-2-(2-furyl)quinazolin-4-yl]-isobutyl-amino]propanoic acid CAS Name: 3-[[7-chloro-2-(2-furanyl)-4-quinazolinyl]-(2-methylpropyl)amino]propanoic acid IUPAC Name: 3-[[7-chloro-2-(furan-2-yl)quinazolin-4-yl]-(2-methylpropyl)amino]propanoic acid Traditional Name: 3-[[7-chloro-2-(2-furyl)quinazolin-4-yl]-isobutyl-amino]propionic acid Formula: C19H20ClN3O3 MolecularWeight: 373.8334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(=O)O)C1=NC(=NC2=C1C=CC(=C2)Cl)C3=CC=CO3

Isomeric SMILES

CC(C)CN(CCC(=O)O)C1=NC(=NC2=C1C=CC(=C2)Cl)C3=CC=CO3

InChI

InChI=1S/C19H20ClN3O3/c1-12(2)11-23(8-7-17(24)25)19-14-6-5-13(20)10-15(14)21-18(22-19)16-4-3-9-26-16/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,25)