4-[2-(prop-2-ynoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(prop-2-ynoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(prop-2-ynoylamino)ethyl]benzoic acid CAS Name: 4-[2-(1-oxoprop-2-ynylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(prop-2-ynoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(propioloylamino)ethyl]benzoic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(=O)NCCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C#CC(=O)NCCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H11NO3/c1-2-11(14)13-8-7-9-3-5-10(6-4-9)12(15)16/h1,3-6H,7-8H2,(H,13,14)(H,15,16)