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

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)ethanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)acetate CAS Name: 2-(2,3,5-trimethylphenoxy)acetic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2,3,5-trimethylphenoxy)acetate Traditional Name: 2-(2,3,5-trimethylphenoxy)acetic acid [4-[(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=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)C)C

Isomeric SMILES

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

InChI

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