O3-tert-butyl O1-ethyl 2-[[2-(phenylmethyl)selanylpyridin-3-yl]methyl]propanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-[[2-(phenylmethyl)selanylpyridin-3-yl]methyl]propanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-[(2-benzylselanyl-3-pyridyl)methyl]propanedioate CAS Name: 2-[[2-[(phenylmethyl)seleno]-3-pyridinyl]methyl]propanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-[(2-benzylselanylpyridin-3-yl)methyl]propanedioate Traditional Name: 2-[[2-(benzylseleno)-3-pyridyl]methyl]malonic acid O1-tert-butyl ester O3-ethyl ester Formula: C22H27NO4Se MolecularWeight: 448.41408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4Se/c1-5-26-20(24)18(21(25)27-22(2,3)4)14-17-12-9-13-23-19(17)28-15-16-10-7-6-8-11-16/h6-13,18H,5,14-15H2,1-4H3