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

Systemtic Name: 4-(5-butylpyrimidin-2-yl)-2-(2-chloranylpropyl)benzoate Openeye Name: 4-(5-butylpyrimidin-2-yl)-2-(2-chloropropyl)benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)-2-(2-chloropropyl)benzoate IUPAC Name: 4-(5-butylpyrimidin-2-yl)-2-(2-chloropropyl)benzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)-2-(2-chloropropyl)benzoate Formula: C18H20ClN2O2- MolecularWeight: 331.8166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CC(C)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-3-4-5-13-10-20-17(21-11-13)14-6-7-16(18(22)23)15(9-14)8-12(2)19/h6-7,9-12H,3-5,8H2,1-2H3,(H,22,23)/p-1