2-chloranyl-2-[4-(5-dodecylpyrimidin-2-yl)phenyl]propanoic acid

Systemtic Name: 2-chloranyl-2-[4-(5-dodecylpyrimidin-2-yl)phenyl]propanoic acid Openeye Name: 2-chloro-2-[4-(5-dodecylpyrimidin-2-yl)phenyl]propanoic acid CAS Name: 2-chloro-2-[4-(5-dodecyl-2-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-chloro-2-[4-(5-dodecylpyrimidin-2-yl)phenyl]propanoic acid Traditional Name: 2-chloro-2-[4-(5-laurylpyrimidin-2-yl)phenyl]propionic acid Formula: C25H35ClN2O2 MolecularWeight: 431.0106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-13-20-18-27-23(28-19-20)21-14-16-22(17-15-21)25(2,26)24(29)30/h14-19H,3-13H2,1-2H3,(H,29,30)