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

Systemtic Name: 2-(1,3-benzodioxol-5-ylamino)-3-methyl-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylamino)-3-methyl-butanoic acid CAS Name: 2-(1,3-benzodioxol-5-ylamino)-3-methylbutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylamino)-3-methylbutanoic acid Traditional Name: 2-(1,3-benzodioxol-5-ylamino)-3-methyl-butyric acid Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-7(2)11(12(14)15)13-8-3-4-9-10(5-8)17-6-16-9/h3-5,7,11,13H,6H2,1-2H3,(H,14,15)