[4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-iodanylbenzoate

Systemtic Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-iodanylbenzoate Openeye Name: [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] ester Formula: C22H14IN3O2 MolecularWeight: 479.26993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=NC(=C1)C2=NC(=NC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C22H14IN3O2/c23-17-8-4-16(5-9-17)22(27)28-18-10-6-15(7-11-18)21-25-14-12-20(26-21)19-3-1-2-13-24-19/h1-14H