4-[(3-acetamidopropanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(3-acetamidopropanoylamino)methyl]benzoic acid Openeye Name: 4-[(3-acetamidopropanoylamino)methyl]benzoic acid CAS Name: 4-[[(3-acetamido-1-oxopropyl)amino]methyl]benzoic acid IUPAC Name: 4-[(3-acetamidopropanoylamino)methyl]benzoic acid Traditional Name: 4-[(3-acetamidopropanoylamino)methyl]benzoic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)NCCC(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N2O4/c1-9(16)14-7-6-12(17)15-8-10-2-4-11(5-3-10)13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)