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

Systemtic Name: 5-heptyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylic acid Openeye Name: 5-heptyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylic acid CAS Name: 5-heptyl-4-[2-(2-methylbutyl)phenyl]-2-pyridinecarboxylic acid IUPAC Name: 5-heptyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylic acid Traditional Name: 5-heptyl-4-[2-(2-methylbutyl)phenyl]picolinic acid Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)O

InChI

InChI=1S/C24H33NO2/c1-4-6-7-8-9-13-20-17-25-23(24(26)27)16-22(20)21-14-11-10-12-19(21)15-18(3)5-2/h10-12,14,16-18H,4-9,13,15H2,1-3H3,(H,26,27)