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

Systemtic Name: 4-[2-(2-methylbutyl)phenyl]-5-pentyl-pyridine-2-carboxylate Openeye Name: 4-[2-(2-methylbutyl)phenyl]-5-pentyl-pyridine-2-carboxylate CAS Name: 4-[2-(2-methylbutyl)phenyl]-5-pentyl-2-pyridinecarboxylate IUPAC Name: 4-[2-(2-methylbutyl)phenyl]-5-pentylpyridine-2-carboxylate Traditional Name: 5-amyl-4-[2-(2-methylbutyl)phenyl]picolinate Formula: C22H28NO2- MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C22H29NO2/c1-4-6-7-11-18-15-23-21(22(24)25)14-20(18)19-12-9-8-10-17(19)13-16(3)5-2/h8-10,12,14-16H,4-7,11,13H2,1-3H3,(H,24,25)/p-1