[4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate

Systemtic Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(5-methyl-2-propan-2-yl-phenoxy)ethanoate Openeye Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(2-isopropyl-5-methyl-phenoxy)acetate CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)acetic acid [4-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [4-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)acetic acid [4-[(6-phenylpyrimidin-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)C(C)C)OCC(=O)OC2=CC=C(C=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3/c1-19(2)24-14-9-20(3)15-26(24)33-17-28(32)34-23-12-10-22(11-13-23)31-27-16-25(29-18-30-27)21-7-5-4-6-8-21/h4-16,18-19H,17H2,1-3H3,(H,29,30,31)