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

Systemtic Name: methyl 3-[2-[3-[2-(2-phenoxyethanoylamino)ethanoylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]ethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O5/c1-32-26(31)21-9-5-7-19(15-21)13-14-20-8-6-10-22(16-20)28-24(29)17-27-25(30)18-33-23-11-3-2-4-12-23/h2-12,15-16H,17-18H2,1H3,(H,27,30)(H,28,29)