dimethyl 2-(4-ethanoylphenoxy)propanedioate; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane

Systemtic Name: dimethyl 2-(4-ethanoylphenoxy)propanedioate; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane Openeye Name: dimethyl 2-(4-acetylphenoxy)propanedioate; 3-(4-pyridyl)-1,4-diazabicyclo[2.2.0]hexane CAS Name: 2-(4-acetylphenoxy)propanedioic acid dimethyl ester; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane IUPAC Name: dimethyl 2-(4-acetylphenoxy)propanedioate; 3-pyridin-4-yl-1,4-diazabicyclo[2.2.0]hexane Traditional Name: 2-(4-acetylphenoxy)malonic acid dimethyl ester; 3-(4-pyridyl)-1,4-diazabicyclo[2.2.0]hexane Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(C(=O)OC)C(=O)OC.C1CN2N1CC2C3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(C(=O)OC)C(=O)OC.C1CN2N1CC2C3=CC=NC=C3

InChI

InChI=1S/C13H14O6.C9H11N3/c1-8(14)9-4-6-10(7-5-9)19-11(12(15)17-2)13(16)18-3;1-3-10-4-2-8(1)9-7-11-5-6-12(9)11/h4-7,11H,1-3H3;1-4,9H,5-7H2