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

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

CCCCC1(OC(=O)C(=CC2=CC=C(C=C2)N3CCCC3)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC=C(C=C2)N3CCCC3)C(=O)O1)C

InChI

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