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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-5-oxo-pentanoic acid CAS Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-5-oxopentanoic acid IUPAC Name: 5-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-5-oxopentanoic acid Traditional Name: 5-keto-3-methyl-5-(piperonylamino)valeric acid Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-9(5-14(17)18)4-13(16)15-7-10-2-3-11-12(6-10)20-8-19-11/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,16)(H,17,18)