2-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid CAS Name: 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Formula: C19H17F3N4O4 MolecularWeight: 422.35789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=NC=C(C(=N4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=NC=C(C(=N4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H17F3N4O4/c20-19(21,22)15-13(16(27)28)9-23-17(24-15)25-7-5-12(6-8-25)26-14-4-2-1-3-11(14)10-30-18(26)29/h1-4,9,12H,5-8,10H2,(H,27,28)