5-hexyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate

Systemtic Name: 5-hexyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate Openeye Name: 5-hexyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate CAS Name: 5-hexyl-4-[2-(2-methylbutyl)phenyl]-2-pyridinecarboxylate IUPAC Name: 5-hexyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate Traditional Name: 5-hexyl-4-[2-(2-methylbutyl)phenyl]picolinate Formula: C23H30NO2- MolecularWeight: 352.4898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C23H31NO2/c1-4-6-7-8-12-19-16-24-22(23(25)26)15-21(19)20-13-10-9-11-18(20)14-17(3)5-2/h9-11,13,15-17H,4-8,12,14H2,1-3H3,(H,25,26)/p-1