4-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(5-hydroxy-4-oxo-pyran-2-yl)methyl]piperazine-1-carboxylic acid CAS Name: 4-[(5-hydroxy-4-oxo-2-pyranyl)methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperazine-1-carboxylic acid Traditional Name: 4-[(5-hydroxy-4-keto-pyran-2-yl)methyl]piperazine-1-carboxylic acid Formula: C11H14N2O5 MolecularWeight: 254.23926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)C(=CO2)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)C(=CO2)O)C(=O)O

InChI

InChI=1S/C11H14N2O5/c14-9-5-8(18-7-10(9)15)6-12-1-3-13(4-2-12)11(16)17/h5,7,15H,1-4,6H2,(H,16,17)