methyl 3-[2-[3-[2-(2-cyanophenoxy)propanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(2-cyanophenoxy)propanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[2-(2-cyanophenoxy)propanoylamino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(2-cyanophenoxy)-1-oxopropyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[2-(2-cyanophenoxy)propanoylamino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[2-(2-cyanophenoxy)propanoylamino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#CC2=CC(=CC=C2)C(=O)OC)OC3=CC=CC=C3C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#CC2=CC(=CC=C2)C(=O)OC)OC3=CC=CC=C3C#N

InChI

InChI=1S/C26H20N2O4/c1-18(32-24-12-4-3-9-22(24)17-27)25(29)28-23-11-6-8-20(16-23)14-13-19-7-5-10-21(15-19)26(30)31-2/h3-12,15-16,18H,1-2H3,(H,28,29)