4-chloranyl-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylic acid

Systemtic Name: 4-chloranyl-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylic acid Openeye Name: 4-chloro-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylic acid CAS Name: 4-chloro-2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinecarboxylic acid IUPAC Name: 4-chloro-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylic acid Traditional Name: 4-chloro-2-[4-(4-hexylphenyl)phenyl]pyrimidine-5-carboxylic acid Formula: C23H23ClN2O2 MolecularWeight: 394.89392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C(=N3)Cl)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C(=N3)Cl)C(=O)O

InChI

InChI=1S/C23H23ClN2O2/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)22-25-15-20(23(27)28)21(24)26-22/h7-15H,2-6H2,1H3,(H,27,28)