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

Systemtic Name: 4-[2-(2-methylbutyl)phenyl]-5-propyl-pyridine-2-carboxylate Openeye Name: 4-[2-(2-methylbutyl)phenyl]-5-propyl-pyridine-2-carboxylate CAS Name: 4-[2-(2-methylbutyl)phenyl]-5-propyl-2-pyridinecarboxylate IUPAC Name: 4-[2-(2-methylbutyl)phenyl]-5-propylpyridine-2-carboxylate Traditional Name: 4-[2-(2-methylbutyl)phenyl]-5-propyl-picolinate Formula: C20H24NO2- MolecularWeight: 310.41006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C20H25NO2/c1-4-8-16-13-21-19(20(22)23)12-18(16)17-10-7-6-9-15(17)11-14(3)5-2/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,22,23)/p-1