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

Systemtic Name: [2-(4-cyanophenyl)pyrimidin-5-yl] heptanoate Openeye Name: [2-(4-cyanophenyl)pyrimidin-5-yl] heptanoate CAS Name: heptanoic acid [2-(4-cyanophenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-cyanophenyl)pyrimidin-5-yl] heptanoate Traditional Name: enanthic acid [2-(4-cyanophenyl)pyrimidin-5-yl] ester Formula: C18H19N3O2 MolecularWeight: 309.36236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c1-2-3-4-5-6-17(22)23-16-12-20-18(21-13-16)15-9-7-14(11-19)8-10-15/h7-10,12-13H,2-6H2,1H3