propan-2-yl 3-[[4-(2-phenylethynyl)phenyl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[4-(2-phenylethynyl)phenyl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[4-(2-phenylethynyl)benzoyl]amino]propanoate CAS Name: 3-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(2-phenylethynyl)benzoyl]amino]propanoate Traditional Name: 3-[[4-(2-phenylethynyl)benzoyl]amino]propionic acid isopropyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)CCNC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C21H21NO3/c1-16(2)25-20(23)14-15-22-21(24)19-12-10-18(11-13-19)9-8-17-6-4-3-5-7-17/h3-7,10-13,16H,14-15H2,1-2H3,(H,22,24)