methyl 3-[2-[3-(pyridin-3-ylcarbonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(pyridin-3-ylcarbonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(pyridine-3-carbonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(pyridine-3-carbonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-(3-nicotinamidophenyl)ethynyl]benzoic acid methyl ester Formula: C22H16N2O3 MolecularWeight: 356.37404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O3/c1-27-22(26)18-7-2-5-16(13-18)10-11-17-6-3-9-20(14-17)24-21(25)19-8-4-12-23-15-19/h2-9,12-15H,1H3,(H,24,25)