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

Systemtic Name: 4-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylic acid Openeye Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylic acid CAS Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-1-piperazinecarboxylic acid IUPAC Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylpiperazine-1-carboxylic acid Traditional Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-piperazine-1-carboxylic acid Formula: C13H14ClF3N2O2 MolecularWeight: 322.71067

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H14ClF3N2O2/c1-8-7-18(12(20)21)4-5-19(8)9-2-3-11(14)10(6-9)13(15,16)17/h2-3,6,8H,4-5,7H2,1H3,(H,20,21)