1,3-benzoxazol-2-ylmethyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: 1,3-benzoxazol-2-ylmethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H14F3N3O3 MolecularWeight: 413.34937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)COC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)COC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H14F3N3O3/c22-21(23,24)13-5-3-6-14(11-13)26-19-15(7-4-10-25-19)20(28)29-12-18-27-16-8-1-2-9-17(16)30-18/h1-11H,12H2,(H,25,26)