3-(3-phenylprop-2-ynoylamino)butanoic acid

Systemtic Name: 3-(3-phenylprop-2-ynoylamino)butanoic acid Openeye Name: 3-(3-phenylprop-2-ynoylamino)butanoic acid CAS Name: 3-[(1-oxo-3-phenylprop-2-ynyl)amino]butanoic acid IUPAC Name: 3-(3-phenylprop-2-ynoylamino)butanoic acid Traditional Name: 3-[(3-phenylpropioloyl)amino]butyric acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C#CC1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)O)NC(=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C13H13NO3/c1-10(9-13(16)17)14-12(15)8-7-11-5-3-2-4-6-11/h2-6,10H,9H2,1H3,(H,14,15)(H,16,17)