4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoate IUPAC Name: 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoate Formula: C18H21N2O2- MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2/c1-2-3-4-5-6-7-14-12-19-17(20-13-14)15-8-10-16(11-9-15)18(21)22/h8-13H,2-7H2,1H3,(H,21,22)/p-1