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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thiophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(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=CSC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

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