1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-thienyl)methyl]pipecolinic acid Formula: C18H17ClF3NO2S MolecularWeight: 403.84629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CSC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CSC=C3

InChI

InChI=1S/C18H17ClF3NO2S/c19-14-5-4-11(9-13(14)18(20,21)22)16(12-6-8-26-10-12)23-7-2-1-3-15(23)17(24)25/h4-6,8-10,15-16H,1-3,7H2,(H,24,25)