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

Systemtic Name: 4-[4-(2-methylbutyl)phenyl]-5-octyl-pyrimidine-2-carboxylic acid Openeye Name: 4-[4-(2-methylbutyl)phenyl]-5-octyl-pyrimidine-2-carboxylic acid CAS Name: 4-[4-(2-methylbutyl)phenyl]-5-octyl-2-pyrimidinecarboxylic acid IUPAC Name: 4-[4-(2-methylbutyl)phenyl]-5-octylpyrimidine-2-carboxylic acid Traditional Name: 4-[4-(2-methylbutyl)phenyl]-5-octyl-pyrimidine-2-carboxylic acid Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

InChI

InChI=1S/C24H34N2O2/c1-4-6-7-8-9-10-11-21-17-25-23(24(27)28)26-22(21)20-14-12-19(13-15-20)16-18(3)5-2/h12-15,17-18H,4-11,16H2,1-3H3,(H,27,28)