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

Systemtic Name: methyl 3-[2-[3-[2-(2-cyanophenoxy)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(2-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(2-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(2-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C25H18N2O4 MolecularWeight: 410.42142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C25H18N2O4/c1-30-25(29)20-9-4-6-18(14-20)12-13-19-7-5-10-22(15-19)27-24(28)17-31-23-11-3-2-8-21(23)16-26/h2-11,14-15H,17H2,1H3,(H,27,28)