1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-thiophen-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thiophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-thienyl)methyl]isonipecotic acid Formula: C18H17ClF3NO2S MolecularWeight: 403.84629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CSC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H17ClF3NO2S/c19-15-2-1-13(18(20,21)22)9-14(15)16(12-5-8-26-10-12)23-6-3-11(4-7-23)17(24)25/h1-2,5,8-11,16H,3-4,6-7H2,(H,24,25)