2-tert-butyl-2-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-dioxane-4,6-dione

Systemtic Name: 2-tert-butyl-2-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-2-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylene]-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-2-methyl-5-[[4-(1-pyrrolidinyl)phenyl]methylidene]-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-2-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-2-methyl-5-(4-pyrrolidinobenzylidene)-1,3-dioxane-4,6-quinone Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC=C(C=C2)N3CCCC3)C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC=C(C=C2)N3CCCC3)C(=O)O1)C(C)(C)C

InChI

InChI=1S/C20H25NO4/c1-19(2,3)20(4)24-17(22)16(18(23)25-20)13-14-7-9-15(10-8-14)21-11-5-6-12-21/h7-10,13H,5-6,11-12H2,1-4H3