tert-butyl 2-[[2-(2-fluorophenyl)pyrimidin-5-yl]amino]-5-methyl-benzoate

Systemtic Name: tert-butyl 2-[[2-(2-fluorophenyl)pyrimidin-5-yl]amino]-5-methyl-benzoate Openeye Name: tert-butyl 2-[[2-(2-fluorophenyl)pyrimidin-5-yl]amino]-5-methyl-benzoate CAS Name: 2-[[2-(2-fluorophenyl)-5-pyrimidinyl]amino]-5-methylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(2-fluorophenyl)pyrimidin-5-yl]amino]-5-methylbenzoate Traditional Name: 2-[[2-(2-fluorophenyl)pyrimidin-5-yl]amino]-5-methyl-benzoic acid tert-butyl ester Formula: C22H22FN3O2 MolecularWeight: 379.427383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=CN=C(N=C2)C3=CC=CC=C3F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=CN=C(N=C2)C3=CC=CC=C3F)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H22FN3O2/c1-14-9-10-19(17(11-14)21(27)28-22(2,3)4)26-15-12-24-20(25-13-15)16-7-5-6-8-18(16)23/h5-13,26H,1-4H3