(4-octoxyphenyl) 2,3-dicyano-4-(5-hexylpyrimidin-2-yl)benzoate

Systemtic Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2,3-dicyano-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 2,3-dicyano-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2,3-dicyano-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-octoxyphenyl) ester Formula: C33H38N4O3 MolecularWeight: 538.67982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2=C(C(=C(C=C2)C3=NC=C(C=N3)CCCCCC)C#N)C#N

InChI

InChI=1S/C33H38N4O3/c1-3-5-7-9-10-12-20-39-26-14-16-27(17-15-26)40-33(38)29-19-18-28(30(21-34)31(29)22-35)32-36-23-25(24-37-32)13-11-8-6-4-2/h14-19,23-24H,3-13,20H2,1-2H3