4-[4-(2-methylbutyl)phenyl]-5-pentyl-pyrimidine-2-carboxylic acid

Systemtic Name: 4-[4-(2-methylbutyl)phenyl]-5-pentyl-pyrimidine-2-carboxylic acid Openeye Name: 4-[4-(2-methylbutyl)phenyl]-5-pentyl-pyrimidine-2-carboxylic acid CAS Name: 4-[4-(2-methylbutyl)phenyl]-5-pentyl-2-pyrimidinecarboxylic acid IUPAC Name: 4-[4-(2-methylbutyl)phenyl]-5-pentylpyrimidine-2-carboxylic acid Traditional Name: 5-amyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

InChI

InChI=1S/C21H28N2O2/c1-4-6-7-8-18-14-22-20(21(24)25)23-19(18)17-11-9-16(10-12-17)13-15(3)5-2/h9-12,14-15H,4-8,13H2,1-3H3,(H,24,25)