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

Systemtic Name: 4-chloranyl-2-(4-hexylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-2-(4-hexylphenyl)pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-(4-hexylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-2-(4-hexylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 4-chloro-2-(4-hexylphenyl)pyrimidine-5-carboxylic acid Formula: C17H19ClN2O2 MolecularWeight: 318.79796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN2O2/c1-2-3-4-5-6-12-7-9-13(10-8-12)16-19-11-14(17(21)22)15(18)20-16/h7-11H,2-6H2,1H3,(H,21,22)