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3-[(4-azanyl-3,5-dimethyl-phenyl)-[2-(dioxidanyl)prop-2-enyl]amino]propanoic acid

3-[(4-azanyl-3,5-dimethyl-phenyl)-[2-(dioxidanyl)prop-2-enyl]amino]propanoic acid

Systemtic Name:3-[(4-azanyl-3,5-dimethyl-phenyl)-[2-(dioxidanyl)prop-2-enyl]amino]propanoic acid
Openeye Name:3-[4-amino-N-(2-hydroperoxyallyl)-3,5-dimethyl-anilino]propanoic acid
CAS Name:3-[4-amino-N-(2-hydroperoxyprop-2-enyl)-3,5-dimethylanilino]propanoic acid
IUPAC Name:3-[4-amino-N-(2-hydroperoxyprop-2-enyl)-3,5-dimethylanilino]propanoic acid
Traditional Name:3-[4-amino-N-(2-hydroperoxyallyl)-3,5-dimethyl-anilino]propionic acid
Formula: C14H20N2O4
MolecularWeight: 280.3196
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)N(CCC(=O)O)CC(=C)OO


Isomeric SMILES

CC1=CC(=CC(=C1N)C)N(CCC(=O)O)CC(=C)OO


InChI

InChI=1S/C14H20N2O4/c1-9-6-12(7-10(2)14(9)15)16(5-4-13(17)18)8-11(3)20-19/h6-7,19H,3-5,8,15H2,1-2H3,(H,17,18)


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