[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)ethanoate

Systemtic Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [4-[(4,6-dimethyl-2-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OC2=CC=C(C=C2)NC3=NC(=CC(=N3)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OC2=CC=C(C=C2)NC3=NC(=CC(=N3)C)C)C

InChI

InChI=1S/C22H23N3O3/c1-14-9-15(2)11-20(10-14)27-13-21(26)28-19-7-5-18(6-8-19)25-22-23-16(3)12-17(4)24-22/h5-12H,13H2,1-4H3,(H,23,24,25)