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

Systemtic Name: methyl 4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[2-(trifluoromethyl)-4-pyridyl]amino]methyl]benzoate CAS Name: 4-[[[2-(trifluoromethyl)-4-pyridinyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzoate Traditional Name: 4-[[[2-(trifluoromethyl)-4-pyridyl]amino]methyl]benzoic acid methyl ester Formula: C15H13F3N2O2 MolecularWeight: 310.27113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=CC(=NC=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=CC(=NC=C2)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O2/c1-22-14(21)11-4-2-10(3-5-11)9-20-12-6-7-19-13(8-12)15(16,17)18/h2-8H,9H2,1H3,(H,19,20)