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

Systemtic Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-methylbenzoate Openeye Name: [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-(4-pyridin-2-ylpyrimidin-2-yl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[4-(2-pyridyl)pyrimidin-2-yl]phenyl] ester Formula: C23H17N3O2 MolecularWeight: 367.39998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=CC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C23H17N3O2/c1-16-5-7-18(8-6-16)23(27)28-19-11-9-17(10-12-19)22-25-15-13-21(26-22)20-4-2-3-14-24-20/h2-15H,1H3