4-(2-chloranyl-3-ethanoyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(2-chloranyl-3-ethanoyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-acetyl-2-chloro-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-acetyl-2-chlorophenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-acetyl-2-chlorophenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-acetyl-2-chloro-phenyl)piperazine-1-carboxylic acid Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3/c1-9(17)10-3-2-4-11(12(10)14)15-5-7-16(8-6-15)13(18)19/h2-4H,5-8H2,1H3,(H,18,19)