(phenylmethyl) 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]propanoate Openeye Name: benzyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]propanoate CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]propanoate Traditional Name: 2-[(1-piperonylethylenimine-2-carbonyl)amino]propionic acid benzyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O5/c1-14(21(25)26-12-15-5-3-2-4-6-15)22-20(24)17-11-23(17)10-16-7-8-18-19(9-16)28-13-27-18/h2-9,14,17H,10-13H2,1H3,(H,22,24)