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

Systemtic Name: (4-octylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-decyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-cyano-4-(5-decylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-decylpyrimidin-2-yl)benzoic acid (4-octylphenyl) ester Formula: C36H47N3O2 MolecularWeight: 553.77728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCC)C#N

InChI

InChI=1S/C36H47N3O2/c1-3-5-7-9-11-12-14-16-18-30-27-38-35(39-28-30)31-21-24-34(32(25-31)26-37)36(40)41-33-22-19-29(20-23-33)17-15-13-10-8-6-4-2/h19-25,27-28H,3-18H2,1-2H3