tert-butyl (2S)-2-[3-[(6-ethanoylpyridin-2-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]-3,3-dimethyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[3-[(6-ethanoylpyridin-2-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]-3,3-dimethyl-butanoate Openeye Name: tert-butyl (2S)-2-[3-[(6-acetyl-2-pyridyl)methyl]-2-oxo-imidazolidin-1-yl]-3,3-dimethyl-butanoate CAS Name: (2S)-2-[3-[(6-acetyl-2-pyridinyl)methyl]-2-oxo-1-imidazolidinyl]-3,3-dimethylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[3-[(6-acetylpyridin-2-yl)methyl]-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoate Traditional Name: (2S)-2-[3-[(6-acetyl-2-pyridyl)methyl]-2-keto-imidazolidin-1-yl]-3,3-dimethyl-butyric acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(=CC=C1)CN2CCN(C2=O)C(C(=O)OC(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(=O)C1=NC(=CC=C1)CN2CCN(C2=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-14(25)16-10-8-9-15(22-16)13-23-11-12-24(19(23)27)17(20(2,3)4)18(26)28-21(5,6)7/h8-10,17H,11-13H2,1-7H3/t17-/m1/s1