bis(phenylmethyl) 2-[3-azanyl-5-(trifluoromethyl)pyridin-2-yl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[3-azanyl-5-(trifluoromethyl)pyridin-2-yl]propanedioate Openeye Name: dibenzyl 2-[3-amino-5-(trifluoromethyl)-2-pyridyl]propanedioate CAS Name: 2-[3-amino-5-(trifluoromethyl)-2-pyridinyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[3-amino-5-(trifluoromethyl)pyridin-2-yl]propanedioate Traditional Name: 2-[3-amino-5-(trifluoromethyl)-2-pyridyl]malonic acid dibenzyl ester Formula: C23H19F3N2O4 MolecularWeight: 444.40317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C2=C(C=C(C=N2)C(F)(F)F)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C2=C(C=C(C=N2)C(F)(F)F)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H19F3N2O4/c24-23(25,26)17-11-18(27)20(28-12-17)19(21(29)31-13-15-7-3-1-4-8-15)22(30)32-14-16-9-5-2-6-10-16/h1-12,19H,13-14,27H2