7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl 2-ethoxyethanoate

Systemtic Name: 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl 2-ethoxyethanoate Openeye Name: 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid 7-[2-(4-cyanophenyl)-5-pyrimidinyl]heptyl ester IUPAC Name: 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid 7-[2-(4-cyanophenyl)pyrimidin-5-yl]heptyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCOCC(=O)OCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H27N3O3/c1-2-27-17-21(26)28-13-7-5-3-4-6-8-19-15-24-22(25-16-19)20-11-9-18(14-23)10-12-20/h9-12,15-16H,2-8,13,17H2,1H3