diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]amino]glutaric acid diethyl ester Formula: C22H27N3O8 MolecularWeight: 461.46508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=CC=C1OC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=CC=C1OC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C22H27N3O8/c1-5-31-19(26)12-11-15(21(28)32-6-2)23-20(27)14-9-7-8-10-16(14)33-22-24-17(29-3)13-18(25-22)30-4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,23,27)/t15-/m0/s1