methyl 3-[2-[3-[2-(4-cyanophenoxy)ethanoylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[2-(4-cyanophenoxy)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-(4-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[2-(4-cyanophenoxy)-1-oxoethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-(4-cyanophenoxy)acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(4-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=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)C#N

InChI

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