2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butanoic acid CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methylbutanoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-methyl-butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H16N2O5/c1-7(2)11(12(16)17)15-13(18)14-8-3-4-9-10(5-8)20-6-19-9/h3-5,7,11H,6H2,1-2H3,(H,16,17)(H2,14,15,18)