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

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-dodecylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(2-chloropropyl)-4-(5-dodecylpyrimidin-2-yl)benzoic acid CAS Name: 2-(2-chloropropyl)-4-(5-dodecyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(2-chloropropyl)-4-(5-dodecylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(2-chloropropyl)-4-(5-laurylpyrimidin-2-yl)benzoic acid Formula: C26H37ClN2O2 MolecularWeight: 445.03718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

InChI

InChI=1S/C26H37ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-21-18-28-25(29-19-21)22-14-15-24(26(30)31)23(17-22)16-20(2)27/h14-15,17-20H,3-13,16H2,1-2H3,(H,30,31)