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

Systemtic Name: 2-chloranyl-2-[4-(5-octylpyrimidin-2-yl)phenyl]propanoic acid Openeye Name: 2-chloro-2-[4-(5-octylpyrimidin-2-yl)phenyl]propanoic acid CAS Name: 2-chloro-2-[4-(5-octyl-2-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-chloro-2-[4-(5-octylpyrimidin-2-yl)phenyl]propanoic acid Traditional Name: 2-chloro-2-[4-(5-octylpyrimidin-2-yl)phenyl]propionic acid Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-3-4-5-6-7-8-9-16-14-23-19(24-15-16)17-10-12-18(13-11-17)21(2,22)20(25)26/h10-15H,3-9H2,1-2H3,(H,25,26)