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

Systemtic Name: (5E)-5-[(2-methylpropan-2-yl)oxy-oxidanyl-methylidene]-4-oxidanylidene-1-phenethyl-pyrrole-3-carboxylic acid Openeye Name: (5E)-5-[tert-butoxy(hydroxy)methylene]-4-oxo-1-phenethyl-pyrrole-3-carboxylic acid CAS Name: (5E)-5-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-4-oxo-1-phenethyl-3-pyrrolecarboxylic acid IUPAC Name: (5E)-5-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-4-oxo-1-phenethylpyrrole-3-carboxylic acid Traditional Name: (5E)-5-[tert-butoxy(hydroxy)methylene]-4-keto-1-phenethyl-2-pyrroline-3-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=C1C(=O)C(=CN1CCC2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C)O/C(=C/1\C(=O)C(=CN1CCC2=CC=CC=C2)C(=O)O)/O

InChI

InChI=1S/C18H21NO5/c1-18(2,3)24-17(23)14-15(20)13(16(21)22)11-19(14)10-9-12-7-5-4-6-8-12/h4-8,11,23H,9-10H2,1-3H3,(H,21,22)/b17-14+