2-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-[5-(trifluoromethyl)-2-pyridyl]isonipecotoyl]amino]terephthalic acid Formula: C20H18F3N3O5 MolecularWeight: 437.36923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O5/c21-20(22,23)13-2-4-16(24-10-13)26-7-5-11(6-8-26)17(27)25-15-9-12(18(28)29)1-3-14(15)19(30)31/h1-4,9-11H,5-8H2,(H,25,27)(H,28,29)(H,30,31)