2-[(2S)-2-ethylhexoxy]pyridine-4-carboxylate

Systemtic Name: 2-[(2S)-2-ethylhexoxy]pyridine-4-carboxylate Openeye Name: 2-[(2S)-2-ethylhexoxy]pyridine-4-carboxylate CAS Name: 2-[(2S)-2-ethylhexoxy]-4-pyridinecarboxylate IUPAC Name: 2-[(2S)-2-ethylhexoxy]pyridine-4-carboxylate Traditional Name: 2-[(2S)-2-ethylhexoxy]isonicotinate Formula: C14H20NO3- MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=NC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)COC1=NC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C14H21NO3/c1-3-5-6-11(4-2)10-18-13-9-12(14(16)17)7-8-15-13/h7-9,11H,3-6,10H2,1-2H3,(H,16,17)/p-1/t11-/m0/s1