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

Systemtic Name: 4-(3-octanoyloxybutan-2-yl)pyridine-3-carboxylate chloride Openeye Name: 4-(1-methyl-2-octanoyloxy-propyl)pyridine-3-carboxylate chloride CAS Name: 4-[3-(1-oxooctoxy)butan-2-yl]-3-pyridinecarboxylate chloride IUPAC Name: 4-(3-octanoyloxybutan-2-yl)pyridine-3-carboxylate chloride Traditional Name: 4-(2-caprylyloxy-1-methyl-propyl)nicotinate chloride Formula: C18H26ClNO4-2 MolecularWeight: 355.85634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4.ClH/c1-4-5-6-7-8-9-17(20)23-14(3)13(2)15-10-11-19-12-16(15)18(21)22;/h10-14H,4-9H2,1-3H3,(H,21,22);1H/p-2