diethyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridin-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]pentanedioate CAS Name: 2-[[[1-[(3,5-dimethoxyphenyl)methyl]-2-aziridinyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[1-[(3,5-dimethoxyphenyl)methyl]aziridine-2-carbonyl]amino]pentanedioate Traditional Name: 2-[[1-(3,5-dimethoxybenzyl)ethylenimine-2-carbonyl]amino]glutaric acid diethyl ester Formula: C21H30N2O7 MolecularWeight: 422.4721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1CN1CC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1CN1CC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H30N2O7/c1-5-29-19(24)8-7-17(21(26)30-6-2)22-20(25)18-13-23(18)12-14-9-15(27-3)11-16(10-14)28-4/h9-11,17-18H,5-8,12-13H2,1-4H3,(H,22,25)