4-[2-(propanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(propanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(propanoylamino)ethyl]benzoic acid CAS Name: 4-[2-(1-oxopropylamino)ethyl]benzoic acid IUPAC Name: 4-[2-(propanoylamino)ethyl]benzoic acid Traditional Name: 4-(2-propionamidoethyl)benzoic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-2-11(14)13-8-7-9-3-5-10(6-4-9)12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)