2-(2-chloranylpropyl)-4-(5-pentylpyrimidin-2-yl)benzoic acid

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-pentylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(2-chloropropyl)-4-(5-pentylpyrimidin-2-yl)benzoic acid CAS Name: 2-(2-chloropropyl)-4-(5-pentyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(2-chloropropyl)-4-(5-pentylpyrimidin-2-yl)benzoic acid Traditional Name: 4-(5-amylpyrimidin-2-yl)-2-(2-chloropropyl)benzoic acid Formula: C19H23ClN2O2 MolecularWeight: 346.85112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

InChI

InChI=1S/C19H23ClN2O2/c1-3-4-5-6-14-11-21-18(22-12-14)15-7-8-17(19(23)24)16(10-15)9-13(2)20/h7-8,10-13H,3-6,9H2,1-2H3,(H,23,24)