2-(4-heptylpyrimidin-2-yl)benzoic acid

Systemtic Name: 2-(4-heptylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(4-heptylpyrimidin-2-yl)benzoic acid CAS Name: 2-(4-heptyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(4-heptylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(4-heptylpyrimidin-2-yl)benzoic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H22N2O2/c1-2-3-4-5-6-9-14-12-13-19-17(20-14)15-10-7-8-11-16(15)18(21)22/h7-8,10-13H,2-6,9H2,1H3,(H,21,22)