ethyl (5E)-5-[(2-methylpropan-2-yl)oxy-oxidanyl-methylidene]-4-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl (5E)-5-[(2-methylpropan-2-yl)oxy-oxidanyl-methylidene]-4-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate Openeye Name: ethyl (5E)-5-[tert-butoxy(hydroxy)methylene]-4-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: (5E)-5-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-4-oxo-1-phenethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-4-oxo-1-phenethylpyrrole-3-carboxylate Traditional Name: (5E)-5-[tert-butoxy(hydroxy)methylene]-4-keto-1-phenethyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C(O)OC(C)(C)C)C1=O)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CN(/C(=C(\O)/OC(C)(C)C)/C1=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H25NO5/c1-5-25-18(23)15-13-21(12-11-14-9-7-6-8-10-14)16(17(15)22)19(24)26-20(2,3)4/h6-10,13,24H,5,11-12H2,1-4H3/b19-16+