4-[2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethyl]benzoic acid CAS Name: 4-[2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-[(5-oxopyrrolidine-2-carbonyl)amino]ethyl]benzoic acid Traditional Name: 4-[2-(pyroglutamoylamino)ethyl]benzoic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC1C(=O)NCCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC(=O)NC1C(=O)NCCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H16N2O4/c17-12-6-5-11(16-12)13(18)15-8-7-9-1-3-10(4-2-9)14(19)20/h1-4,11H,5-8H2,(H,15,18)(H,16,17)(H,19,20)