5-chloranyl-6-[(2S)-octan-2-yl]oxy-pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[(2S)-octan-2-yl]oxy-pyridine-3-carboxylate Openeye Name: 5-chloro-6-[(1S)-1-methylheptoxy]pyridine-3-carboxylate CAS Name: 5-chloro-6-[(2S)-octan-2-yl]oxy-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[(2S)-octan-2-yl]oxypyridine-3-carboxylate Traditional Name: 5-chloro-6-[(1S)-1-methylheptoxy]nicotinate Formula: C14H19ClNO3- MolecularWeight: 284.75856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=N1)C(=O)[O-])Cl

Isomeric SMILES

CCCCCC[C@H](C)OC1=C(C=C(C=N1)C(=O)[O-])Cl

InChI

InChI=1S/C14H20ClNO3/c1-3-4-5-6-7-10(2)19-13-12(15)8-11(9-16-13)14(17)18/h8-10H,3-7H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1