(4-decylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate

Systemtic Name: (4-decylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-decylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-decylphenyl) ester IUPAC Name: (4-decylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2-cyano-benzoic acid (4-decylphenyl) ester Formula: C33H41N3O2 MolecularWeight: 511.69754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCCCC)C#N

InChI

InChI=1S/C33H41N3O2/c1-3-5-7-8-9-10-11-13-14-26-16-19-30(20-17-26)38-33(37)31-21-18-28(22-29(31)23-34)32-35-24-27(25-36-32)15-12-6-4-2/h16-22,24-25H,3-15H2,1-2H3