2-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]pent-4-ynoic acid

Systemtic Name: 2-[(2-oxidanyl-2-oxidanylidene-1-phenyl-ethyl)amino]pent-4-ynoic acid Openeye Name: 2-[(2-hydroxy-2-oxo-1-phenyl-ethyl)amino]pent-4-ynoic acid CAS Name: 2-[(2-hydroxy-2-oxo-1-phenylethyl)amino]-4-pentynoic acid IUPAC Name: 2-[(2-hydroxy-2-oxo-1-phenylethyl)amino]pent-4-ynoic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-phenyl-ethyl)amino]pent-4-ynoic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO4/c1-2-6-10(12(15)16)14-11(13(17)18)9-7-4-3-5-8-9/h1,3-5,7-8,10-11,14H,6H2,(H,15,16)(H,17,18)