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

Systemtic Name: [4-[2-(4-cyanophenyl)pyrimidin-5-yl]phenyl] pentanoate Openeye Name: [4-[2-(4-cyanophenyl)pyrimidin-5-yl]phenyl] pentanoate CAS Name: pentanoic acid [4-[2-(4-cyanophenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-cyanophenyl)pyrimidin-5-yl]phenyl] pentanoate Traditional Name: valeric acid [4-[2-(4-cyanophenyl)pyrimidin-5-yl]phenyl] ester Formula: C22H19N3O2 MolecularWeight: 357.40516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC(=O)OC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H19N3O2/c1-2-3-4-21(26)27-20-11-9-17(10-12-20)19-14-24-22(25-15-19)18-7-5-16(13-23)6-8-18/h5-12,14-15H,2-4H2,1H3