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

Systemtic Name: 2-(4-hexylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-hexylphenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(4-hexylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-hexylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-hexylphenyl)pyrimidine-5-carboxylic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-2-3-4-5-6-13-7-9-14(10-8-13)16-18-11-15(12-19-16)17(20)21/h7-12H,2-6H2,1H3,(H,20,21)