2-[[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[2-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[2-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]propanoic acid CAS Name: 2-[[[2-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[2-(3-hydroxy-3-methylbut-1-ynyl)benzoyl]amino]propanoic acid Traditional Name: 2-[[2-(3-hydroxy-3-methyl-but-1-ynyl)benzoyl]amino]propionic acid Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC=CC=C1C#CC(C)(C)O

Isomeric SMILES

CC(C(=O)O)NC(=O)C1=CC=CC=C1C#CC(C)(C)O

InChI

InChI=1S/C15H17NO4/c1-10(14(18)19)16-13(17)12-7-5-4-6-11(12)8-9-15(2,3)20/h4-7,10,20H,1-3H3,(H,16,17)(H,18,19)