(4-heptylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC)C#N

InChI

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