tert-butyl 2-[4-[2-[(5-bromanylpyrimidin-2-yl)-heptyl-amino]ethyl]phenoxy]-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[4-[2-[(5-bromanylpyrimidin-2-yl)-heptyl-amino]ethyl]phenoxy]-2-methyl-propanoate Openeye Name: tert-butyl 2-[4-[2-[(5-bromopyrimidin-2-yl)-heptyl-amino]ethyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[2-[(5-bromo-2-pyrimidinyl)-heptylamino]ethyl]phenoxy]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-[(5-bromopyrimidin-2-yl)-heptylamino]ethyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[2-[(5-bromopyrimidin-2-yl)-heptyl-amino]ethyl]phenoxy]-2-methyl-propionic acid tert-butyl ester Formula: C27H40BrN3O3 MolecularWeight: 534.5288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCC1=CC=C(C=C1)OC(C)(C)C(=O)OC(C)(C)C)C2=NC=C(C=N2)Br

Isomeric SMILES

CCCCCCCN(CCC1=CC=C(C=C1)OC(C)(C)C(=O)OC(C)(C)C)C2=NC=C(C=N2)Br

InChI

InChI=1S/C27H40BrN3O3/c1-7-8-9-10-11-17-31(25-29-19-22(28)20-30-25)18-16-21-12-14-23(15-13-21)33-27(5,6)24(32)34-26(2,3)4/h12-15,19-20H,7-11,16-18H2,1-6H3