tert-butyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(4,6-dimethoxypyrimidin-2-yl)oxybenzoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C22H27N3O6 MolecularWeight: 429.46628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C2=CC=CC=C2OC3=NC(=CC(=N3)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)C2=CC=CC=C2OC3=NC(=CC(=N3)OC)OC

InChI

InChI=1S/C22H27N3O6/c1-22(2,3)31-20(27)15-10-8-12-25(15)19(26)14-9-6-7-11-16(14)30-21-23-17(28-4)13-18(24-21)29-5/h6-7,9,11,13,15H,8,10,12H2,1-5H3/t15-/m0/s1