[4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] butanoate

Systemtic Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] butanoate Openeye Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] butanoate CAS Name: butanoic acid [4-[5-(4-cyanophenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] butanoate Traditional Name: butyric acid [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] ester Formula: C21H17N3O2 MolecularWeight: 343.37858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N3O2/c1-2-3-20(25)26-19-10-8-17(9-11-19)21-23-13-18(14-24-21)16-6-4-15(12-22)5-7-16/h4-11,13-14H,2-3H2,1H3