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

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)ethanoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate CAS Name: 2-(3,5-dimethylphenoxy)acetic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(3,5-dimethylphenoxy)acetate Traditional Name: 2-(3,5-dimethylphenoxy)acetic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H25N3O3/c1-18-12-19(2)14-24(13-18)32-17-27(31)33-23-11-7-10-22(15-23)30-26-16-25(28-20(3)29-26)21-8-5-4-6-9-21/h4-16H,17H2,1-3H3,(H,28,29,30)