3-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]benzoic acid

Systemtic Name: 3-[6-[[4-(trifluoromethyloxy)phenyl]amino]pyrimidin-4-yl]benzoic acid Openeye Name: 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoic acid CAS Name: 3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzoic acid IUPAC Name: 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoic acid Traditional Name: 3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoic acid Formula: C18H12F3N3O3 MolecularWeight: 375.30139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C18H12F3N3O3/c19-18(20,21)27-14-6-4-13(5-7-14)24-16-9-15(22-10-23-16)11-2-1-3-12(8-11)17(25)26/h1-10H,(H,25,26)(H,22,23,24)