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

Systemtic Name: phenyl 5-(2-phenylethynyl)pyridine-3-carboxylate Openeye Name: phenyl 5-(2-phenylethynyl)pyridine-3-carboxylate CAS Name: 5-(2-phenylethynyl)-3-pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 5-(2-phenylethynyl)pyridine-3-carboxylate Traditional Name: 5-(2-phenylethynyl)nicotinic acid phenyl ester Formula: C20H13NO2 MolecularWeight: 299.32272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CN=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H13NO2/c22-20(23-19-9-5-2-6-10-19)18-13-17(14-21-15-18)12-11-16-7-3-1-4-8-16/h1-10,13-15H