[3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 2-phenoxyethanoate

Systemtic Name: [3-[(6-bromanylquinazolin-4-yl)amino]phenyl] 2-phenoxyethanoate Openeye Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [3-[(6-bromo-4-quinazolinyl)amino]phenyl] ester IUPAC Name: [3-[(6-bromoquinazolin-4-yl)amino]phenyl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [3-[(6-bromoquinazolin-4-yl)amino]phenyl] ester Formula: C22H16BrN3O3 MolecularWeight: 450.28474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)OC2=CC=CC(=C2)NC3=NC=NC4=C3C=C(C=C4)Br

InChI

InChI=1S/C22H16BrN3O3/c23-15-9-10-20-19(11-15)22(25-14-24-20)26-16-5-4-8-18(12-16)29-21(27)13-28-17-6-2-1-3-7-17/h1-12,14H,13H2,(H,24,25,26)