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

Systemtic Name: 4-(4-butylpyrimidin-2-yl)benzoic acid Openeye Name: 4-(4-butylpyrimidin-2-yl)benzoic acid CAS Name: 4-(4-butyl-2-pyrimidinyl)benzoic acid IUPAC Name: 4-(4-butylpyrimidin-2-yl)benzoic acid Traditional Name: 4-(4-butylpyrimidin-2-yl)benzoic acid Formula: C15H16N2O2 MolecularWeight: 256.29974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCC1=NC(=NC=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H16N2O2/c1-2-3-4-13-9-10-16-14(17-13)11-5-7-12(8-6-11)15(18)19/h5-10H,2-4H2,1H3,(H,18,19)