ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate Openeye Name: ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-phenylethynyl)pyridine-3-carboxylate Traditional Name: 5-(2-phenylethynyl)nicotinic acid ethyl ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CC(=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN=CC(=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C16H13NO2/c1-2-19-16(18)15-10-14(11-17-12-15)9-8-13-6-4-3-5-7-13/h3-7,10-12H,2H2,1H3