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

Systemtic Name: 5-heptyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Openeye Name: 5-heptyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid CAS Name: 5-heptyl-4-[4-(2-methylbutyl)phenyl]-2-pyrimidinecarboxylic acid IUPAC Name: 5-heptyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Traditional Name: 5-heptyl-4-[4-(2-methylbutyl)phenyl]pyrimidine-2-carboxylic acid Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1C2=CC=C(C=C2)CC(C)CC)C(=O)O

InChI

InChI=1S/C23H32N2O2/c1-4-6-7-8-9-10-20-16-24-22(23(26)27)25-21(20)19-13-11-18(12-14-19)15-17(3)5-2/h11-14,16-17H,4-10,15H2,1-3H3,(H,26,27)