4-oxidanylidene-4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]but-2-enoate

Systemtic Name: 4-oxidanylidene-4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]but-2-enoate Openeye Name: 4-oxo-4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]amino]but-2-enoate CAS Name: 4-oxo-4-[[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]amino]-2-butenoate IUPAC Name: 4-oxo-4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]amino]but-2-enoate Traditional Name: 4-keto-4-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]amino]but-2-enoate Formula: C14H14F3N4O3- MolecularWeight: 343.28117

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C=CC(=O)[O-])C2=NC=CC(=N2)C(F)(F)F

Isomeric SMILES

C1CN(CCC1NC(=O)C=CC(=O)[O-])C2=NC=CC(=N2)C(F)(F)F

InChI

InChI=1S/C14H15F3N4O3/c15-14(16,17)10-3-6-18-13(20-10)21-7-4-9(5-8-21)19-11(22)1-2-12(23)24/h1-3,6,9H,4-5,7-8H2,(H,19,22)(H,23,24)/p-1