ethyl 5-oct-1-ynylpyridine-3-carboxylate

Systemtic Name: ethyl 5-oct-1-ynylpyridine-3-carboxylate Openeye Name: ethyl 5-oct-1-ynylpyridine-3-carboxylate CAS Name: 5-oct-1-ynyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-oct-1-ynylpyridine-3-carboxylate Traditional Name: 5-oct-1-ynylnicotinic acid ethyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CN=C1)C(=O)OCC

Isomeric SMILES

CCCCCCC#CC1=CC(=CN=C1)C(=O)OCC

InChI

InChI=1S/C16H21NO2/c1-3-5-6-7-8-9-10-14-11-15(13-17-12-14)16(18)19-4-2/h11-13H,3-8H2,1-2H3