[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(3-propan-2-ylphenoxy)ethanoate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(3-propan-2-ylphenoxy)ethanoate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(3-isopropylphenoxy)acetate CAS Name: 2-(3-propan-2-ylphenoxy)acetic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-(3-propan-2-ylphenoxy)acetate Traditional Name: 2-(3-isopropylphenoxy)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:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3/c1-19(2)21-10-6-12-23(14-21)32-17-27(31)33-24-13-7-11-22(15-24)30-26-16-25(28-18-29-26)20-8-4-3-5-9-20/h3-16,18-19H,17H2,1-2H3,(H,28,29,30)