(4-acetamidophenyl) 4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzoate

Systemtic Name: (4-acetamidophenyl) 4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzoate Openeye Name: (4-acetamidophenyl) 4-[[[2-(trifluoromethyl)-4-pyridyl]amino]methyl]benzoate CAS Name: 4-[[[2-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[[2-(trifluoromethyl)-4-pyridyl]amino]methyl]benzoic acid (4-acetamidophenyl) ester Formula: C22H18F3N3O3 MolecularWeight: 429.39183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O3/c1-14(29)28-17-6-8-19(9-7-17)31-21(30)16-4-2-15(3-5-16)13-27-18-10-11-26-20(12-18)22(23,24)25/h2-12H,13H2,1H3,(H,26,27)(H,28,29)