2-[4-[(2-propan-2-ylquinazolin-4-yl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2-propan-2-ylquinazolin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[(2-isopropylquinazolin-4-yl)amino]phenyl]acetic acid CAS Name: 2-[4-[(2-propan-2-yl-4-quinazolinyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[(2-propan-2-ylquinazolin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[(2-isopropylquinazolin-4-yl)amino]phenyl]acetic acid Formula: C19H19N3O2 MolecularWeight: 321.37306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C19H19N3O2/c1-12(2)18-21-16-6-4-3-5-15(16)19(22-18)20-14-9-7-13(8-10-14)11-17(23)24/h3-10,12H,11H2,1-2H3,(H,23,24)(H,20,21,22)