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2-(2-chloranylpropyl)-4-(5-dodecylpyrimidin-2-yl)benzoate

2-(2-chloranylpropyl)-4-(5-dodecylpyrimidin-2-yl)benzoate

Systemtic Name:2-(2-chloranylpropyl)-4-(5-dodecylpyrimidin-2-yl)benzoate
Openeye Name:2-(2-chloropropyl)-4-(5-dodecylpyrimidin-2-yl)benzoate
CAS Name:2-(2-chloropropyl)-4-(5-dodecyl-2-pyrimidinyl)benzoate
IUPAC Name:2-(2-chloropropyl)-4-(5-dodecylpyrimidin-2-yl)benzoate
Traditional Name:2-(2-chloropropyl)-4-(5-laurylpyrimidin-2-yl)benzoate
Formula: C26H36ClN2O2-
MolecularWeight: 444.02924
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl


Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl


InChI

InChI=1S/C26H37ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-18-28-25(29-19-21)22-14-15-24(26(30)31)23(17-22)16-20(2)27/h14-15,17-20H,3-13,16H2,1-2H3,(H,30,31)/p-1


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