methyl 6-[[4-(2-phenylethynyl)phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[4-(2-phenylethynyl)phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[4-(2-phenylethynyl)benzoyl]amino]hexanoate CAS Name: 6-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-phenylethynyl)benzoyl]amino]hexanoate Traditional Name: 6-[[4-(2-phenylethynyl)benzoyl]amino]hexanoic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C22H23NO3/c1-26-21(24)10-6-3-7-17-23-22(25)20-15-13-19(14-16-20)12-11-18-8-4-2-5-9-18/h2,4-5,8-9,13-16H,3,6-7,10,17H2,1H3,(H,23,25)