2-(1,3-benzodioxol-5-ylcarbonylamino)-2-methyl-pentanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-2-methyl-pentanoic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-2-methyl-pentanoic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-methylpentanoic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-2-methylpentanoic acid Traditional Name: 2-methyl-2-(piperonyloylamino)valeric acid Formula: C14H17NO5 MolecularWeight: 279.28848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H17NO5/c1-3-6-14(2,13(17)18)15-12(16)9-4-5-10-11(7-9)20-8-19-10/h4-5,7H,3,6,8H2,1-2H3,(H,15,16)(H,17,18)