4-(4-ethanoylphenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(4-ethanoylphenyl)piperazine-1-carboxylic acid Openeye Name: 4-(4-acetylphenyl)piperazine-1-carboxylic acid CAS Name: 4-(4-acetylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(4-acetylphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(4-acetylphenyl)piperazine-1-carboxylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)O

InChI

InChI=1S/C13H16N2O3/c1-10(16)11-2-4-12(5-3-11)14-6-8-15(9-7-14)13(17)18/h2-5H,6-9H2,1H3,(H,17,18)