2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid CAS Name: 2-[oxo-[2-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]ethylamino]methyl]benzoic acid IUPAC Name: 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethylcarbamoyl]benzoic acid Formula: C15H13F3N4O3 MolecularWeight: 354.28393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCNC2=NC=CC(=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCNC2=NC=CC(=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C15H13F3N4O3/c16-15(17,18)11-5-6-20-14(22-11)21-8-7-19-12(23)9-3-1-2-4-10(9)13(24)25/h1-6H,7-8H2,(H,19,23)(H,24,25)(H,20,21,22)