2-(2-butoxyethyl)pyridine-3-carboxylate

Systemtic Name: 2-(2-butoxyethyl)pyridine-3-carboxylate Openeye Name: 2-(2-butoxyethyl)pyridine-3-carboxylate CAS Name: 2-(2-butoxyethyl)-3-pyridinecarboxylate IUPAC Name: 2-(2-butoxyethyl)pyridine-3-carboxylate Traditional Name: 2-(2-butoxyethyl)nicotinate Formula: C12H16NO3- MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CCCCOCCC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C12H17NO3/c1-2-3-8-16-9-6-11-10(12(14)15)5-4-7-13-11/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,15)/p-1