methyl 3-phenyl-3-[[4-(2-phenylethynyl)phenyl]carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-3-[[4-(2-phenylethynyl)phenyl]carbonylamino]propanoate Openeye Name: methyl 3-phenyl-3-[[4-(2-phenylethynyl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-phenyl-3-[[4-(2-phenylethynyl)benzoyl]amino]propanoate Traditional Name: 3-phenyl-3-[[4-(2-phenylethynyl)benzoyl]amino]propionic acid methyl ester Formula: C25H21NO3 MolecularWeight: 383.43914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C25H21NO3/c1-29-24(27)18-23(21-10-6-3-7-11-21)26-25(28)22-16-14-20(15-17-22)13-12-19-8-4-2-5-9-19/h2-11,14-17,23H,18H2,1H3,(H,26,28)