tert-butyl 3-oxidanylidene-2-[[2-(phenylmethyl)selanylpyridin-3-yl]methyl]butanoate

Systemtic Name: tert-butyl 3-oxidanylidene-2-[[2-(phenylmethyl)selanylpyridin-3-yl]methyl]butanoate Openeye Name: tert-butyl 2-[(2-benzylselanyl-3-pyridyl)methyl]-3-oxo-butanoate CAS Name: 3-oxo-2-[[2-[(phenylmethyl)seleno]-3-pyridinyl]methyl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-benzylselanylpyridin-3-yl)methyl]-3-oxobutanoate Traditional Name: 2-[[2-(benzylseleno)-3-pyridyl]methyl]-3-keto-butyric acid tert-butyl ester Formula: C21H25NO3Se MolecularWeight: 418.3881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=C(N=CC=C1)[Se]CC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C(CC1=C(N=CC=C1)[Se]CC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H25NO3Se/c1-15(23)18(20(24)25-21(2,3)4)13-17-11-8-12-22-19(17)26-14-16-9-6-5-7-10-16/h5-12,18H,13-14H2,1-4H3