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

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

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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

Isomeric SMILES

CC1=CC(=C(C(=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)20(3)25(13-18)32-16-27(31)33-23-11-7-10-22(14-23)30-26-15-24(28-17-29-26)21-8-5-4-6-9-21/h4-15,17H,16H2,1-3H3,(H,28,29,30)