7-(carboxymethylperoxy)-5-[2-(piperidin-4-ylcarbonylamino)ethanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid

Systemtic Name: 7-(carboxymethylperoxy)-5-[2-(piperidin-4-ylcarbonylamino)ethanoyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Openeye Name: 7-(carboxymethylperoxy)-5-[2-(piperidine-4-carbonylamino)acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid CAS Name: 7-(carboxymethyldioxy)-5-[1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]ethyl]-7-bicyclo[4.1.0]hepta-1,3,5-trienecarboxylic acid IUPAC Name: 7-(carboxymethylperoxy)-5-[2-(piperidine-4-carbonylamino)acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Traditional Name: 7-(carboxymethylperoxy)-5-[2-(isonipecotoylamino)acetyl]bicyclo[4.1.0]hepta-1,3,5-triene-7-carboxylic acid Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NCC(=O)C2=C3C(=CC=C2)C3(C(=O)O)OOCC(=O)O

Isomeric SMILES

C1CNCCC1C(=O)NCC(=O)C2=C3C(=CC=C2)C3(C(=O)O)OOCC(=O)O

InChI

InChI=1S/C18H20N2O8/c21-13(8-20-16(24)10-4-6-19-7-5-10)11-2-1-3-12-15(11)18(12,17(25)26)28-27-9-14(22)23/h1-3,10,19H,4-9H2,(H,20,24)(H,22,23)(H,25,26)