methyl 3-[2-[3-[(3-acetamidophenyl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(3-acetamidophenyl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(3-acetamidobenzoyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(3-acetamidophenyl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(3-acetamidobenzoyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(3-acetamidobenzoyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H20N2O4 MolecularWeight: 412.4373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C25H20N2O4/c1-17(28)26-23-11-5-8-20(16-23)24(29)27-22-10-4-7-19(15-22)13-12-18-6-3-9-21(14-18)25(30)31-2/h3-11,14-16H,1-2H3,(H,26,28)(H,27,29)