2-chloranyl-2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate

Systemtic Name: 2-chloranyl-2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-chloro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate CAS Name: 2-chloro-2-[4-(5-heptyl-2-pyrimidinyl)phenyl]propanoate IUPAC Name: 2-chloro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 2-chloro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]propionate Formula: C20H24ClN2O2- MolecularWeight: 359.86976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)[O-])Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)(C(=O)[O-])Cl

InChI

InChI=1S/C20H25ClN2O2/c1-3-4-5-6-7-8-15-13-22-18(23-14-15)16-9-11-17(12-10-16)20(2,21)19(24)25/h9-14H,3-8H2,1-2H3,(H,24,25)/p-1