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

Systemtic Name: 2-(4-heptylphenyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(4-heptylphenyl)pyrimidine-5-carboxylic acid CAS Name: 2-(4-heptylphenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(4-heptylphenyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(4-heptylphenyl)pyrimidine-5-carboxylic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)O

InChI

InChI=1S/C18H22N2O2/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)17-19-12-16(13-20-17)18(21)22/h8-13H,2-7H2,1H3,(H,21,22)