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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-butanoic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methyl-butanoic acid CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-3-methylbutanoic acid Traditional Name: 3-methyl-2-(piperonylcarbamoylamino)butyric acid Formula: C14H18N2O5 MolecularWeight: 294.30312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H18N2O5/c1-8(2)12(13(17)18)16-14(19)15-6-9-3-4-10-11(5-9)21-7-20-10/h3-5,8,12H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)