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

Systemtic Name: 5-decyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate Openeye Name: 5-decyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate CAS Name: 5-decyl-4-[2-(2-methylbutyl)phenyl]-2-pyridinecarboxylate IUPAC Name: 5-decyl-4-[2-(2-methylbutyl)phenyl]pyridine-2-carboxylate Traditional Name: 5-decyl-4-[2-(2-methylbutyl)phenyl]picolinate Formula: C27H38NO2- MolecularWeight: 408.59612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1=CN=C(C=C1C2=CC=CC=C2CC(C)CC)C(=O)[O-]

InChI

InChI=1S/C27H39NO2/c1-4-6-7-8-9-10-11-12-16-23-20-28-26(27(29)30)19-25(23)24-17-14-13-15-22(24)18-21(3)5-2/h13-15,17,19-21H,4-12,16,18H2,1-3H3,(H,29,30)/p-1