4-[(2-acetamidoethanoylamino)methyl]benzoate

Systemtic Name: 4-[(2-acetamidoethanoylamino)methyl]benzoate Openeye Name: 4-[[(2-acetamidoacetyl)amino]methyl]benzoate CAS Name: 4-[[(2-acetamido-1-oxoethyl)amino]methyl]benzoate IUPAC Name: 4-[[(2-acetamidoacetyl)amino]methyl]benzoate Traditional Name: 4-[[(2-acetamidoacetyl)amino]methyl]benzoate Formula: C12H13N2O4- MolecularWeight: 249.24262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(=O)NCC(=O)NCC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-8(15)13-7-11(16)14-6-9-2-4-10(5-3-9)12(17)18/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)/p-1