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

Systemtic Name: (4-octylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-heptylpyrimidin-2-yl)benzoic acid (4-octylphenyl) ester Formula: C33H41N3O2 MolecularWeight: 511.69754

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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)CCCCCCC)C#N

Isomeric SMILES

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

InChI

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