[4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] hexanoate

Systemtic Name: [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] hexanoate Openeye Name: [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] hexanoate CAS Name: hexanoic acid [4-[4-(5-cyano-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[4-(5-cyanopyrimidin-2-yl)phenyl]phenyl] ester Formula: C23H21N3O2 MolecularWeight: 371.43174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

InChI

InChI=1S/C23H21N3O2/c1-2-3-4-5-22(27)28-21-12-10-19(11-13-21)18-6-8-20(9-7-18)23-25-15-17(14-24)16-26-23/h6-13,15-16H,2-5H2,1H3