1-[5-methyl-2-(trifluoromethyl)furan-3-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[5-methyl-2-(trifluoromethyl)-3-furanyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[5-methyl-2-(trifluoromethyl)-3-furoyl]isonipecotic acid Formula: C13H14F3NO4 MolecularWeight: 305.24977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C(F)(F)F)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)C(F)(F)F)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H14F3NO4/c1-7-6-9(10(21-7)13(14,15)16)11(18)17-4-2-8(3-5-17)12(19)20/h6,8H,2-5H2,1H3,(H,19,20)