[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C26H22BrN3O3 MolecularWeight: 504.37518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C(C)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C(C)OC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H22BrN3O3/c1-17(32-22-13-11-20(27)12-14-22)26(31)33-23-10-6-9-21(15-23)30-25-16-24(28-18(2)29-25)19-7-4-3-5-8-19/h3-17H,1-2H3,(H,28,29,30)