1-[furan-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[furan-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-furyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-furanyl-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[furan-2-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-furyl-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C18H18F3NO3 MolecularWeight: 353.33563

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CO3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)C(F)(F)F)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C18H18F3NO3/c19-18(20,21)14-6-1-4-12(10-14)16(15-7-3-9-25-15)22-8-2-5-13(11-22)17(23)24/h1,3-4,6-7,9-10,13,16H,2,5,8,11H2,(H,23,24)