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

Systemtic Name: 4-[2-(2-acetamidopropanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(2-acetamidopropanoylamino)ethyl]benzoic acid CAS Name: 4-[2-[(2-acetamido-1-oxopropyl)amino]ethyl]benzoic acid IUPAC Name: 4-[2-(2-acetamidopropanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(2-acetamidopropanoylamino)ethyl]benzoic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-9(16-10(2)17)13(18)15-8-7-11-3-5-12(6-4-11)14(19)20/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)