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

Systemtic Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-chloranylbenzoate Openeye Name: [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] ester Formula: C22H14ClN3O2 MolecularWeight: 387.81846

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClN3O2/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