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

Systemtic Name: 4-chloranyl-2-(4-pentylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-2-(4-pentylphenyl)pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-(4-pentylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-2-(4-pentylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-amylphenyl)-4-chloro-pyrimidine-5-carboxylic acid Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C(=N2)Cl)C(=O)O

InChI

InChI=1S/C16H17ClN2O2/c1-2-3-4-5-11-6-8-12(9-7-11)15-18-10-13(16(20)21)14(17)19-15/h6-10H,2-5H2,1H3,(H,20,21)