(4-propoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-propoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-propoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-propoxyphenyl) ester Formula: C25H22N4O3 MolecularWeight: 426.46718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC)C#N)C#N

Isomeric SMILES

CCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C(=O)OC3=CC=C(C=C3)OCCC)C#N)C#N

InChI

InChI=1S/C25H22N4O3/c1-3-5-17-15-28-24(29-16-17)20-10-11-21(23(14-27)22(20)13-26)25(30)32-19-8-6-18(7-9-19)31-12-4-2/h6-11,15-16H,3-5,12H2,1-2H3