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

Systemtic Name: [2-(4-cyanophenyl)pyrimidin-5-yl] pentanoate Openeye Name: [2-(4-cyanophenyl)pyrimidin-5-yl] pentanoate CAS Name: pentanoic acid [2-(4-cyanophenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-cyanophenyl)pyrimidin-5-yl] pentanoate Traditional Name: valeric acid [2-(4-cyanophenyl)pyrimidin-5-yl] ester Formula: C16H15N3O2 MolecularWeight: 281.3092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-2-3-4-15(20)21-14-10-18-16(19-11-14)13-7-5-12(9-17)6-8-13/h5-8,10-11H,2-4H2,1H3