2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]acetic acid CAS Name: 2-[4-(7-oxo-1-cyclohepta-1,3,5-trienyl)-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(7-ketocyclohepta-1,3,5-trien-1-yl)piperazino]acetic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=CC=CC=CC2=O

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=CC=CC=CC2=O

InChI

InChI=1S/C13H16N2O3/c16-12-5-3-1-2-4-11(12)15-8-6-14(7-9-15)10-13(17)18/h1-5H,6-10H2,(H,17,18)