5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(piperonylamino)valeric acid Formula: C15H19NO5 MolecularWeight: 293.31506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-15(2,7-14(18)19)6-13(17)16-8-10-3-4-11-12(5-10)21-9-20-11/h3-5H,6-9H2,1-2H3,(H,16,17)(H,18,19)