4-(5-pentylpyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(5-pentylpyrimidin-2-yl)benzoic acid Openeye Name: 4-(5-pentylpyrimidin-2-yl)benzoic acid CAS Name: 4-(5-pentyl-2-pyrimidinyl)benzoic acid IUPAC Name: 4-(5-pentylpyrimidin-2-yl)benzoic acid Traditional Name: 4-(5-amylpyrimidin-2-yl)benzoic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H18N2O2/c1-2-3-4-5-12-10-17-15(18-11-12)13-6-8-14(9-7-13)16(19)20/h6-11H,2-5H2,1H3,(H,19,20)