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

Systemtic Name: (4-octylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Openeye Name: (4-octylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate CAS Name: 2-cyano-4-(5-hexyl-2-pyrimidinyl)benzoic acid (4-octylphenyl) ester IUPAC Name: (4-octylphenyl) 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoate Traditional Name: 2-cyano-4-(5-hexylpyrimidin-2-yl)benzoic acid (4-octylphenyl) ester Formula: C32H39N3O2 MolecularWeight: 497.67096

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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)CCCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C32H39N3O2/c1-3-5-7-9-10-12-13-25-15-18-29(19-16-25)37-32(36)30-20-17-27(21-28(30)22-33)31-34-23-26(24-35-31)14-11-8-6-4-2/h15-21,23-24H,3-14H2,1-2H3