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

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

Systemtic Name:(4-hexylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate
Openeye Name:(4-hexylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate
CAS Name:2-cyano-4-(5-octyl-2-pyrimidinyl)benzoic acid (4-hexylphenyl) ester
IUPAC Name:(4-hexylphenyl) 2-cyano-4-(5-octylpyrimidin-2-yl)benzoate
Traditional Name:2-cyano-4-(5-octylpyrimidin-2-yl)benzoic acid (4-hexylphenyl) ester
Formula: C32H39N3O2
MolecularWeight: 497.67096
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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)CCCCCC)C#N


Isomeric SMILES

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


InChI

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


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