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

Systemtic Name: 2-chloranyl-2-[4-(5-decylpyrimidin-2-yl)phenyl]propanoic acid Openeye Name: 2-chloro-2-[4-(5-decylpyrimidin-2-yl)phenyl]propanoic acid CAS Name: 2-chloro-2-[4-(5-decyl-2-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-chloro-2-[4-(5-decylpyrimidin-2-yl)phenyl]propanoic acid Traditional Name: 2-chloro-2-[4-(5-decylpyrimidin-2-yl)phenyl]propionic acid Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)O)Cl

InChI

InChI=1S/C23H31ClN2O2/c1-3-4-5-6-7-8-9-10-11-18-16-25-21(26-17-18)19-12-14-20(15-13-19)23(2,24)22(27)28/h12-17H,3-11H2,1-2H3,(H,27,28)