3-(2-phenylethanoylamino)pent-4-ynoic acid

Systemtic Name: 3-(2-phenylethanoylamino)pent-4-ynoic acid Openeye Name: 3-[(2-phenylacetyl)amino]pent-4-ynoic acid CAS Name: 3-[(1-oxo-2-phenylethyl)amino]-4-pentynoic acid IUPAC Name: 3-[(2-phenylacetyl)amino]pent-4-ynoic acid Traditional Name: 3-[(2-phenylacetyl)amino]pent-4-ynoic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-2-11(9-13(16)17)14-12(15)8-10-6-4-3-5-7-10/h1,3-7,11H,8-9H2,(H,14,15)(H,16,17)