2-(4-butylphenyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-(4-butylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-butylphenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(4-butylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-butylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-butylphenyl)pyrimidine-5-carboxylic acid Formula: C15H16N2O2 MolecularWeight: 256.29974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

InChI

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