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

Systemtic Name: tert-butyl 2-[4-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]phenoxy]-2-methyl-propanoate Openeye Name: tert-butyl 2-[4-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]phenoxy]-2-methyl-propanoate CAS Name: 2-[4-[2-[(5-ethyl-2-pyrimidinyl)amino]ethyl]phenoxy]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]phenoxy]-2-methylpropanoate Traditional Name: 2-[4-[2-[(5-ethylpyrimidin-2-yl)amino]ethyl]phenoxy]-2-methyl-propionic acid tert-butyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)NCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CN=C(N=C1)NCCC2=CC=C(C=C2)OC(C)(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H31N3O3/c1-7-16-14-24-20(25-15-16)23-13-12-17-8-10-18(11-9-17)27-22(5,6)19(26)28-21(2,3)4/h8-11,14-15H,7,12-13H2,1-6H3,(H,23,24,25)