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

Systemtic Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] propanoate Openeye Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] propanoate CAS Name: propanoic acid [4-[5-(4-cyanophenyl)-2-pyrimidinyl]phenyl] ester IUPAC Name: [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] propanoate Traditional Name: propionic acid [4-[5-(4-cyanophenyl)pyrimidin-2-yl]phenyl] ester Formula: C20H15N3O2 MolecularWeight: 329.352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2/c1-2-19(24)25-18-9-7-16(8-10-18)20-22-12-17(13-23-20)15-5-3-14(11-21)4-6-15/h3-10,12-13H,2H2,1H3