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

Systemtic Name: 4-(3-hexadecanoyloxybutan-2-yl)pyridine-3-carboxylate chloride Openeye Name: 4-(2-hexadecanoyloxy-1-methyl-propyl)pyridine-3-carboxylate chloride CAS Name: 4-[3-(1-oxohexadecoxy)butan-2-yl]-3-pyridinecarboxylate chloride IUPAC Name: 4-(3-hexadecanoyloxybutan-2-yl)pyridine-3-carboxylate chloride Traditional Name: 4-(2-hexadecanoyloxy-1-methyl-propyl)nicotinate chloride Formula: C26H42ClNO4-2 MolecularWeight: 468.06898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H43NO4.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(28)31-22(3)21(2)23-18-19-27-20-24(23)26(29)30;/h18-22H,4-17H2,1-3H3,(H,29,30);1H/p-2