2-[2-[(propanoylamino)methyl]phenyl]ethanoic acid

Systemtic Name: 2-[2-[(propanoylamino)methyl]phenyl]ethanoic acid Openeye Name: 2-[2-[(propanoylamino)methyl]phenyl]acetic acid CAS Name: 2-[2-[(1-oxopropylamino)methyl]phenyl]acetic acid IUPAC Name: 2-[2-[(propanoylamino)methyl]phenyl]acetic acid Traditional Name: 2-[2-(propionamidomethyl)phenyl]acetic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=CC=CC=C1CC(=O)O

Isomeric SMILES

CCC(=O)NCC1=CC=CC=C1CC(=O)O

InChI

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