[(2S)-1-(tert-butylamino)-3-(3-pyrrol-1-ylpyridin-2-yl)oxy-propan-2-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2S)-1-(tert-butylamino)-3-(3-pyrrol-1-ylpyridin-2-yl)oxy-propan-2-yl] 2,2-dimethylpropanoate Openeye Name: [(1S)-1-[(tert-butylamino)methyl]-2-[(3-pyrrol-1-yl-2-pyridyl)oxy]ethyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-1-(tert-butylamino)-3-[[3-(1-pyrrolyl)-2-pyridinyl]oxy]propan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-3-(3-pyrrol-1-ylpyridin-2-yl)oxypropan-2-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1S)-1-[(tert-butylamino)methyl]-2-[(3-pyrrol-1-yl-2-pyridyl)oxy]ethyl] ester Formula: C21H31N3O3 MolecularWeight: 373.48914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(CNC(C)(C)C)COC1=C(C=CC=N1)N2C=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)O[C@@H](CNC(C)(C)C)COC1=C(C=CC=N1)N2C=CC=C2

InChI

InChI=1S/C21H31N3O3/c1-20(2,3)19(25)27-16(14-23-21(4,5)6)15-26-18-17(10-9-11-22-18)24-12-7-8-13-24/h7-13,16,23H,14-15H2,1-6H3/t16-/m0/s1