5-[[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Systemtic Name: 5-[[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)phenyl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)anilino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[[4-methoxy-3-[3-(1-pyrrolidinyl)propoxy]anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[[4-methoxy-3-(3-pyrrolidin-1-ylpropoxy)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[[4-methoxy-3-(3-pyrrolidinopropoxy)anilino]methylene]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CNC2=CC(=C(C=C2)OC)OCCCN3CCCC3)C(=O)O1)C

Isomeric SMILES

CC1(OC(=O)C(=CNC2=CC(=C(C=C2)OC)OCCCN3CCCC3)C(=O)O1)C

InChI

InChI=1S/C21H28N2O6/c1-21(2)28-19(24)16(20(25)29-21)14-22-15-7-8-17(26-3)18(13-15)27-12-6-11-23-9-4-5-10-23/h7-8,13-14,22H,4-6,9-12H2,1-3H3