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

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-heptylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(2-chloropropyl)-4-(5-heptylpyrimidin-2-yl)benzoic acid CAS Name: 2-(2-chloropropyl)-4-(5-heptyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(2-chloropropyl)-4-(5-heptylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(2-chloropropyl)-4-(5-heptylpyrimidin-2-yl)benzoic acid Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-3-4-5-6-7-8-16-13-23-20(24-14-16)17-9-10-19(21(25)26)18(12-17)11-15(2)22/h9-10,12-15H,3-8,11H2,1-2H3,(H,25,26)