diethyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]pentanedioate CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]pentanedioate Traditional Name: 2-[(1-piperonylethylenimine-2-carbonyl)amino]glutaric acid diethyl ester Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1CN1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1CN1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H26N2O7/c1-3-26-18(23)8-6-14(20(25)27-4-2)21-19(24)15-11-22(15)10-13-5-7-16-17(9-13)29-12-28-16/h5,7,9,14-15H,3-4,6,8,10-12H2,1-2H3,(H,21,24)