3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoic acid

Systemtic Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoic acid Openeye Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoic acid CAS Name: 3-[4-(5-heptyl-2-pyrimidinyl)phenyl]butanoic acid IUPAC Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoic acid Traditional Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butyric acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)O

InChI

InChI=1S/C21H28N2O2/c1-3-4-5-6-7-8-17-14-22-21(23-15-17)19-11-9-18(10-12-19)16(2)13-20(24)25/h9-12,14-16H,3-8,13H2,1-2H3,(H,24,25)