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

Systemtic Name: 2-chloranyl-2-[4-(5-undecylpyrimidin-2-yl)phenyl]propanoic acid Openeye Name: 2-chloro-2-[4-(5-undecylpyrimidin-2-yl)phenyl]propanoic acid CAS Name: 2-chloro-2-[4-(5-undecyl-2-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-chloro-2-[4-(5-undecylpyrimidin-2-yl)phenyl]propanoic acid Traditional Name: 2-chloro-2-[4-(5-undecylpyrimidin-2-yl)phenyl]propionic acid Formula: C24H33ClN2O2 MolecularWeight: 416.98402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C24H33ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-19-17-26-22(27-18-19)20-13-15-21(16-14-20)24(2,25)23(28)29/h13-18H,3-12H2,1-2H3,(H,28,29)