1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]nipecotic acid Formula: C18H17ClF3NO2S MolecularWeight: 403.84629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CSC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CSC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C18H17ClF3NO2S/c19-15-4-3-13(18(20,21)22)8-14(15)16(12-5-7-26-10-12)23-6-1-2-11(9-23)17(24)25/h3-5,7-8,10-11,16H,1-2,6,9H2,(H,24,25)