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

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-undecylpyrimidin-2-yl)benzoate Openeye Name: 2-(2-chloropropyl)-4-(5-undecylpyrimidin-2-yl)benzoate CAS Name: 2-(2-chloropropyl)-4-(5-undecyl-2-pyrimidinyl)benzoate IUPAC Name: 2-(2-chloropropyl)-4-(5-undecylpyrimidin-2-yl)benzoate Traditional Name: 2-(2-chloropropyl)-4-(5-undecylpyrimidin-2-yl)benzoate Formula: C25H34ClN2O2- MolecularWeight: 430.00266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl

InChI

InChI=1S/C25H35ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-20-17-27-24(28-18-20)21-13-14-23(25(29)30)22(16-21)15-19(2)26/h13-14,16-19H,3-12,15H2,1-2H3,(H,29,30)/p-1