methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]-2-phenyl-acetate CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]-2-phenylacetate Traditional Name: 2-phenyl-2-[(1-piperonylethylenimine-2-carbonyl)amino]acetic acid methyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/c1-25-20(24)18(14-5-3-2-4-6-14)21-19(23)15-11-22(15)10-13-7-8-16-17(9-13)27-12-26-16/h2-9,15,18H,10-12H2,1H3,(H,21,23)