2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]amino]methyl]benzoic acid IUPAC Name: 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbamoyl]benzoic acid Traditional Name: 2-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]-4-piperidyl]carbamoyl]benzoic acid Formula: C18H17F3N4O3 MolecularWeight: 394.34779

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2C(=O)O)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2C(=O)O)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O3/c19-18(20,21)14-5-8-22-17(24-14)25-9-6-11(7-10-25)23-15(26)12-3-1-2-4-13(12)16(27)28/h1-5,8,11H,6-7,9-10H2,(H,23,26)(H,27,28)