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

Systemtic Name: 2-(4-pentylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-pentylphenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(4-pentylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-pentylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-amylphenyl)pyrimidine-5-carboxylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-2-3-4-5-12-6-8-13(9-7-12)15-17-10-14(11-18-15)16(19)20/h6-11H,2-5H2,1H3,(H,19,20)