(4-hexylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate

Systemtic Name: (4-hexylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-hexylphenyl) ester Formula: C27H29N3O2 MolecularWeight: 427.53806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

InChI=1S/C27H29N3O2/c1-3-5-6-7-9-20-10-13-24(14-11-20)32-27(31)25-15-12-22(16-23(25)17-28)26-29-18-21(8-4-2)19-30-26/h10-16,18-19H,3-9H2,1-2H3