4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carboxylic acid Formula: C12H12ClF3N2O2 MolecularWeight: 308.68409

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H12ClF3N2O2/c13-10-2-1-8(7-9(10)12(14,15)16)17-3-5-18(6-4-17)11(19)20/h1-2,7H,3-6H2,(H,19,20)