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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CN2CC3=CC4=C(C=C3)OCO4

InChI

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