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

Systemtic Name: (4-octylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-propyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-cyano-4-(5-propylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-propylpyrimidin-2-yl)benzoic acid (4-octylphenyl) ester Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=N3)CCC)C#N

InChI

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