4-(3-decanoyloxybutan-2-yl)pyridine-3-carboxylate chloride

Systemtic Name: 4-(3-decanoyloxybutan-2-yl)pyridine-3-carboxylate chloride Openeye Name: 4-(2-decanoyloxy-1-methyl-propyl)pyridine-3-carboxylate chloride CAS Name: 4-[3-(1-oxodecoxy)butan-2-yl]-3-pyridinecarboxylate chloride IUPAC Name: 4-(3-decanoyloxybutan-2-yl)pyridine-3-carboxylate chloride Traditional Name: 4-(2-capryloxy-1-methyl-propyl)nicotinate chloride Formula: C20H30ClNO4-2 MolecularWeight: 383.9095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC(C)C(C)C1=C(C=NC=C1)C(=O)[O-].[Cl-]

Isomeric SMILES

CCCCCCCCCC(=O)OC(C)C(C)C1=C(C=NC=C1)C(=O)[O-].[Cl-]

InChI

InChI=1S/C20H31NO4.ClH/c1-4-5-6-7-8-9-10-11-19(22)25-16(3)15(2)17-12-13-21-14-18(17)20(23)24;/h12-16H,4-11H2,1-3H3,(H,23,24);1H/p-2