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

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)ethanoate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)acetate CAS Name: 2-(2,3,5-trimethylphenoxy)acetic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)acetate Traditional Name: 2-(2,3,5-trimethylphenoxy)acetic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3/c1-18-13-19(2)20(3)26(14-18)33-17-28(32)34-24-12-8-11-23(15-24)31-27-16-25(29-21(4)30-27)22-9-6-5-7-10-22/h5-16H,17H2,1-4H3,(H,29,30,31)