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

Systemtic Name: (4-hexylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-pentyl-2-pyrimidinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-cyano-4-(5-pentylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-amylpyrimidin-2-yl)-2-cyano-benzoic acid (4-hexylphenyl) ester Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O2/c1-3-5-7-9-10-22-12-15-26(16-13-22)34-29(33)27-17-14-24(18-25(27)19-30)28-31-20-23(21-32-28)11-8-6-4-2/h12-18,20-21H,3-11H2,1-2H3