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

Systemtic Name: 2-chloranyl-2-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoic acid Openeye Name: 2-chloro-2-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoic acid CAS Name: 2-chloro-2-[4-(5-pentyl-2-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-chloro-2-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoic acid Traditional Name: 2-[4-(5-amylpyrimidin-2-yl)phenyl]-2-chloro-propionic acid Formula: C18H21ClN2O2 MolecularWeight: 332.82454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C18H21ClN2O2/c1-3-4-5-6-13-11-20-16(21-12-13)14-7-9-15(10-8-14)18(2,19)17(22)23/h7-12H,3-6H2,1-2H3,(H,22,23)