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

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: 2-(2-chloropropyl)-4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 2-(2-chloropropyl)-4-(5-octyl-2-pyrimidinyl)benzoate IUPAC Name: 2-(2-chloropropyl)-4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 2-(2-chloropropyl)-4-(5-octylpyrimidin-2-yl)benzoate Formula: C22H28ClN2O2- MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl

InChI

InChI=1S/C22H29ClN2O2/c1-3-4-5-6-7-8-9-17-14-24-21(25-15-17)18-10-11-20(22(26)27)19(13-18)12-16(2)23/h10-11,13-16H,3-9,12H2,1-2H3,(H,26,27)/p-1